N-[[4-[(2-cyanopentanoylamino)methyl]cyclohexyl]methyl]-5-ethyl-1H-pyrazole-3-carboxamide

C20H31N5O2 — CID 167944583

IUPACN-[[4-[(2-cyanopentanoylamino)methyl]cyclohexyl]methyl]-5-ethyl-1H-pyrazole-3-carboxamide
SMILESCCCC(C#N)C(=O)NCC1CCC(CNC(=O)c2cc(CC)[nH]n2)CC1
InChIInChI=1S/C20H31N5O2/c1-3-5-16(11-21)19(26)22-12-14-6-8-15(9-7-14)13-23-20(27)18-10-17(4-2)24-25-18/h10,14-16H,3-9,12-13H2,1-2H3,(H,22,26)(H,23,27)(H,24,25)
InChIKeyWJUZQXNMURJXIS-UHFFFAOYSA-N
MW373.50 g/mol
LogP2.56
Rot. Bonds9

About N-[[4-[(2-cyanopentanoylamino)methyl]cyclohexyl]methyl]-5-ethyl-1H-pyrazole-3-carboxamide

N-[[4-[(2-cyanopentanoylamino)methyl]cyclohexyl]methyl]-5-ethyl-1H-pyrazole-3-carboxamide (PubChem CID 167944583) has the molecular formula C20H31N5O2 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-[[4-[(2-cyanopentanoylamino)methyl]cyclohexyl]methyl]-5-ethyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[4-[(2-cyanopentanoylamino)methyl]cyclohexyl]methyl]-5-ethyl-1H-pyrazole-3-carboxamide
PubChem CID167944583
Molecular FormulaC20H31N5O2
Molecular Weight373.50 g/mol
Exact Mass373.25
IUPAC NameN-[[4-[(2-cyanopentanoylamino)methyl]cyclohexyl]methyl]-5-ethyl-1H-pyrazole-3-carboxamide
SMILESCCCC(C#N)C(=O)NCC1CCC(CNC(=O)c2cc(CC)[nH]n2)CC1
InChIInChI=1S/C20H31N5O2/c1-3-5-16(11-21)19(26)22-12-14-6-8-15(9-7-14)13-23-20(27)18-10-17(4-2)24-25-18/h10,14-16H,3-9,12-13H2,1-2H3,(H,22,26)(H,23,27)(H,24,25)
InChIKeyWJUZQXNMURJXIS-UHFFFAOYSA-N
XLogP2.56
TPSA110.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[[4-[(2-cyanopentanoylamino)methyl]cyclohexyl]methyl]-5-ethyl-1H-pyrazole-3-carboxamide with MolForge

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Related Compounds

5-ethyl-N-[(3-hydroxycyclohexyl)methyl]-1H-pyrazole-3-carboxamide
CID 111459726
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CID 94006757
N-(3-ethoxypropyl)-5-ethyl-1H-pyrazole-3-carboxamide
CID 78861290
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-5-ethyl-1H-pyrazole-3-carboxamide
CID 102556008
N-(cyclopropylmethyl)-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 166187750
N-(cyclopropylmethyl)-5-piperidin-4-yl-1H-pyrazole-3-carboxamide
CID 112708128
N-(2-amino-1-cyclopropylethyl)-5-ethyl-1H-pyrazole-3-carboxamide;hydrochloride
CID 119617013
5-ethyl-N-[2-(2-methoxyphenyl)ethyl]-1H-pyrazole-3-carboxamide
CID 39431668
methyl 5-ethyl-1H-pyrazole-3-carboxylate
CID 43428294
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5-ethyl-1H-pyrazole-3-carboxamide
CID 78879680
5-ethyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrazole-3-carboxamide
CID 78875791
5-ethyl-N-(2-hydroxy-2,3-dimethylpentyl)-1H-pyrazole-3-carboxamide
CID 111478104

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-cyanopentanoylamino)methyl]cyclohexyl]methyl]-5-ethyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[[4-[(2-cyanopentanoylamino)methyl]cyclohexyl]methyl]-5-ethyl-1H-pyrazole-3-carboxamide (CID 167944583) is N-[[4-[(2-cyanopentanoylamino)methyl]cyclohexyl]methyl]-5-ethyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[[4-[(2-cyanopentanoylamino)methyl]cyclohexyl]methyl]-5-ethyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[[4-[(2-cyanopentanoylamino)methyl]cyclohexyl]methyl]-5-ethyl-1H-pyrazole-3-carboxamide is CCCC(C#N)C(=O)NCC1CCC(CNC(=O)c2cc(CC)[nH]n2)CC1.
What is the InChIKey of N-[[4-[(2-cyanopentanoylamino)methyl]cyclohexyl]methyl]-5-ethyl-1H-pyrazole-3-carboxamide?
The InChIKey is WJUZQXNMURJXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O2/c1-3-5-16(11-21)19(26)22-12-14-6-8-15(9-7-14)13-23-20(27)18-10-17(4-2)24-25-18/h10,14-16H,3-9,12-13H2,1-2H3,(H,22,26)(H,23,27)(H,24,25).
What are the key properties of N-[[4-[(2-cyanopentanoylamino)methyl]cyclohexyl]methyl]-5-ethyl-1H-pyrazole-3-carboxamide?
N-[[4-[(2-cyanopentanoylamino)methyl]cyclohexyl]methyl]-5-ethyl-1H-pyrazole-3-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 2.56, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-cyanopentanoylamino)methyl]cyclohexyl]methyl]-5-ethyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 167944583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).