5-(cyclohexylmethoxy)-1-(2-piperazin-1-ylethyl)-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrazole-4-carboxamide

C27H45N5O2 — CID 70990915

IUPAC5-(cyclohexylmethoxy)-1-(2-piperazin-1-ylethyl)-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrazole-4-carboxamide
SMILESCC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC(=O)c1cnn(CCN3CCNCC3)c1OCC1CCCCC1)C2
InChIInChI=1S/C27H45N5O2/c1-26(2)21-9-10-27(26,3)23(17-21)30-24(33)22-18-29-32(16-15-31-13-11-28-12-14-31)25(22)34-19-20-7-5-4-6-8-20/h18,20-21,23,28H,4-17,19H2,1-3H3,(H,30,33)/t21-,23-,27+/m1/s1
InChIKeyIOGJRIPOHNRNKJ-CIXCFARBSA-N
MW471.69 g/mol
LogP3.69
Rot. Bonds8

About 5-(cyclohexylmethoxy)-1-(2-piperazin-1-ylethyl)-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrazole-4-carboxamide

5-(cyclohexylmethoxy)-1-(2-piperazin-1-ylethyl)-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrazole-4-carboxamide (PubChem CID 70990915) has the molecular formula C27H45N5O2 and a molecular weight of 471.69 g/mol. Its IUPAC name is 5-(cyclohexylmethoxy)-1-(2-piperazin-1-ylethyl)-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(cyclohexylmethoxy)-1-(2-piperazin-1-ylethyl)-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrazole-4-carboxamide
PubChem CID70990915
Molecular FormulaC27H45N5O2
Molecular Weight471.69 g/mol
Exact Mass471.36
IUPAC Name5-(cyclohexylmethoxy)-1-(2-piperazin-1-ylethyl)-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrazole-4-carboxamide
SMILESCC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC(=O)c1cnn(CCN3CCNCC3)c1OCC1CCCCC1)C2
InChIInChI=1S/C27H45N5O2/c1-26(2)21-9-10-27(26,3)23(17-21)30-24(33)22-18-29-32(16-15-31-13-11-28-12-14-31)25(22)34-19-20-7-5-4-6-8-20/h18,20-21,23,28H,4-17,19H2,1-3H3,(H,30,33)/t21-,23-,27+/m1/s1
InChIKeyIOGJRIPOHNRNKJ-CIXCFARBSA-N
XLogP3.69
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.69
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(cyclohexylmethoxy)-1-(2-piperazin-1-ylethyl)-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrazole-4-carboxamide with MolForge

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Related Compounds

N-(2-adamantyl)-5-(cyclohexylmethoxy)-1-[2-(2-oxopiperazin-1-yl)ethyl]pyrazole-4-carboxamide;hydrochloride
CID 161207797
N-(2-adamantyl)-5-(cyclohexylmethoxy)-1-[2-[4-(3,3-dimethylbutanoylamino)piperidin-1-yl]ethyl]pyrazole-4-carboxamide;hydrochloride
CID 159778466
N-(2-adamantyl)-1-(3-piperazin-1-ylpropyl)-5-propan-2-yloxypyrazole-4-carboxamide;dihydrochloride
CID 157354001
5-oxo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 78793742
N-(2-adamantyl)-5-(cyclohexylmethoxy)-1-[2-[[1-[2-(dimethylamino)ethyl]-2,3-dihydrotetrazol-5-yl]sulfanyl]ethyl]pyrazole-4-carboxamide
CID 118486469
4-(cyclohexylmethoxy)-N-(2-piperazin-1-ylethyl)benzamide
CID 119448595
3,5-dimethyl-4-oxo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 71901626
4-fluoro-N-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide
CID 892493
4-pyrimidin-2-yl-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperazine-1-carboxamide
CID 99845459
2-bromo-N-[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide
CID 102074730
2-oxo-7-propoxy-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)chromene-3-carboxamide
CID 5263615
4-amino-5-methyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-1H-pyrazole-3-carboxamide
CID 62083352

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylmethoxy)-1-(2-piperazin-1-ylethyl)-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrazole-4-carboxamide?
The IUPAC name of 5-(cyclohexylmethoxy)-1-(2-piperazin-1-ylethyl)-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrazole-4-carboxamide (CID 70990915) is 5-(cyclohexylmethoxy)-1-(2-piperazin-1-ylethyl)-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-(cyclohexylmethoxy)-1-(2-piperazin-1-ylethyl)-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-(cyclohexylmethoxy)-1-(2-piperazin-1-ylethyl)-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrazole-4-carboxamide is CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC(=O)c1cnn(CCN3CCNCC3)c1OCC1CCCCC1)C2.
What is the InChIKey of 5-(cyclohexylmethoxy)-1-(2-piperazin-1-ylethyl)-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrazole-4-carboxamide?
The InChIKey is IOGJRIPOHNRNKJ-CIXCFARBSA-N. The full InChI is InChI=1S/C27H45N5O2/c1-26(2)21-9-10-27(26,3)23(17-21)30-24(33)22-18-29-32(16-15-31-13-11-28-12-14-31)25(22)34-19-20-7-5-4-6-8-20/h18,20-21,23,28H,4-17,19H2,1-3H3,(H,30,33)/t21-,23-,27+/m1/s1.
What are the key properties of 5-(cyclohexylmethoxy)-1-(2-piperazin-1-ylethyl)-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrazole-4-carboxamide?
5-(cyclohexylmethoxy)-1-(2-piperazin-1-ylethyl)-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrazole-4-carboxamide has a molecular weight of 471.69 g/mol, XLogP of 3.69, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylmethoxy)-1-(2-piperazin-1-ylethyl)-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrazole-4-carboxamide is sourced from PubChem (CID 70990915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).