5-cyclopropyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-3-carboxamide

C26H36N4O2 — CID 42529334

IUPAC5-cyclopropyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-3-carboxamide
SMILESCc1ccccc1CN1CCC(CN(C[C@H]2CCCO2)C(=O)c2cc(C3CC3)[nH]n2)CC1
InChIInChI=1S/C26H36N4O2/c1-19-5-2-3-6-22(19)17-29-12-10-20(11-13-29)16-30(18-23-7-4-14-32-23)26(31)25-15-24(27-28-25)21-8-9-21/h2-3,5-6,15,20-21,23H,4,7-14,16-18H2,1H3,(H,27,28)/t23-/m1/s1
InChIKeyWQLUOWCMSPCZHG-HSZRJFAPSA-N
MW436.60 g/mol
LogP4.13
Rot. Bonds8

About 5-cyclopropyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-3-carboxamide

5-cyclopropyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-3-carboxamide (PubChem CID 42529334) has the molecular formula C26H36N4O2 and a molecular weight of 436.60 g/mol. Its IUPAC name is 5-cyclopropyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-3-carboxamide
PubChem CID42529334
Molecular FormulaC26H36N4O2
Molecular Weight436.60 g/mol
Exact Mass436.28
IUPAC Name5-cyclopropyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-3-carboxamide
SMILESCc1ccccc1CN1CCC(CN(C[C@H]2CCCO2)C(=O)c2cc(C3CC3)[nH]n2)CC1
InChIInChI=1S/C26H36N4O2/c1-19-5-2-3-6-22(19)17-29-12-10-20(11-13-29)16-30(18-23-7-4-14-32-23)26(31)25-15-24(27-28-25)21-8-9-21/h2-3,5-6,15,20-21,23H,4,7-14,16-18H2,1H3,(H,27,28)/t23-/m1/s1
InChIKeyWQLUOWCMSPCZHG-HSZRJFAPSA-N
XLogP4.13
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.60
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide
CID 45221593
4-methyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]thiadiazole-5-carboxamide
CID 42566535
5-ethyl-4-methyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-3-carboxamide
CID 42457711
2-methyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
CID 45193260
N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-2-oxo-N-(oxolan-2-ylmethyl)propanamide
CID 72927308
N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]furan-2-carboxamide
CID 42214950
4-methoxy-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 42527604
3-methyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
CID 45203929
N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-1H-indole-6-carboxamide
CID 45244001
5-chloro-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]thiophene-2-carboxamide
CID 26330943
1-methyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]-4,5-dihydropyridazine-3-carboxamide
CID 25380612
2-(diethylamino)-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 42557577

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-3-carboxamide (CID 42529334) is 5-cyclopropyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-3-carboxamide is Cc1ccccc1CN1CCC(CN(C[C@H]2CCCO2)C(=O)c2cc(C3CC3)[nH]n2)CC1.
What is the InChIKey of 5-cyclopropyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is WQLUOWCMSPCZHG-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H36N4O2/c1-19-5-2-3-6-22(19)17-29-12-10-20(11-13-29)16-30(18-23-7-4-14-32-23)26(31)25-15-24(27-28-25)21-8-9-21/h2-3,5-6,15,20-21,23H,4,7-14,16-18H2,1H3,(H,27,28)/t23-/m1/s1.
What are the key properties of 5-cyclopropyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-3-carboxamide?
5-cyclopropyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 436.60 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 42529334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).