N-[[1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidin-4-yl]methyl]-1H-pyrazole-4-carboxamide

C20H26N4O — CID 58933801

IUPACN-[[1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidin-4-yl]methyl]-1H-pyrazole-4-carboxamide
SMILESO=C(NCC1CCN(C[C@@H]2C[C@H]2c2ccccc2)CC1)c1cn[nH]c1
InChIInChI=1S/C20H26N4O/c25-20(18-12-22-23-13-18)21-11-15-6-8-24(9-7-15)14-17-10-19(17)16-4-2-1-3-5-16/h1-5,12-13,15,17,19H,6-11,14H2,(H,21,25)(H,22,23)/t17-,19-/m0/s1
InChIKeyDYLSFXHAZZPRLK-HKUYNNGSSA-N
MW338.45 g/mol
LogP2.66
Rot. Bonds6

About N-[[1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidin-4-yl]methyl]-1H-pyrazole-4-carboxamide

N-[[1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidin-4-yl]methyl]-1H-pyrazole-4-carboxamide (PubChem CID 58933801) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[[1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidin-4-yl]methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidin-4-yl]methyl]-1H-pyrazole-4-carboxamide
PubChem CID58933801
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC NameN-[[1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidin-4-yl]methyl]-1H-pyrazole-4-carboxamide
SMILESO=C(NCC1CCN(C[C@@H]2C[C@H]2c2ccccc2)CC1)c1cn[nH]c1
InChIInChI=1S/C20H26N4O/c25-20(18-12-22-23-13-18)21-11-15-6-8-24(9-7-15)14-17-10-19(17)16-4-2-1-3-5-16/h1-5,12-13,15,17,19H,6-11,14H2,(H,21,25)(H,22,23)/t17-,19-/m0/s1
InChIKeyDYLSFXHAZZPRLK-HKUYNNGSSA-N
XLogP2.66
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidin-4-yl]methyl]-1H-pyrazole-4-carboxamide with MolForge

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Related Compounds

N-[[1-(2-hydroxy-3-phenylpropyl)piperidin-4-yl]methyl]-1H-pyrazole-4-carboxamide
CID 58933661
N-(cyclohexylmethyl)-1H-pyrazole-4-carboxamide
CID 6734414
4-(methoxymethyl)-1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine
CID 29154047
N-benzhydryl-2-[1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidin-4-yl]acetamide
CID 10478310
N-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-pyrazole-4-carboxamide
CID 63897139
N-[(1-pent-2-ynylpiperidin-4-yl)methyl]benzamide
CID 131929470
N-[[1-[(2S)-2-phenylcyclopropanecarbonyl]piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide
CID 58933589
N-[[4-[(4-fluorophenoxy)methyl]cyclohexyl]methyl]-1H-pyrazole-4-carboxamide
CID 11278969
N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16896080
4-[2-[4-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidin-1-yl]ethoxy]benzoic acid
CID 159855488
1-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-3-[[(1S,2R)-2-phenylcyclopropyl]methyl]urea
CID 97081608
1-(2-methoxyethyl)-4-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine
CID 149331751

Frequently Asked Questions

What is the IUPAC name of N-[[1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidin-4-yl]methyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[[1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidin-4-yl]methyl]-1H-pyrazole-4-carboxamide (CID 58933801) is N-[[1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidin-4-yl]methyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[[1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidin-4-yl]methyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[[1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidin-4-yl]methyl]-1H-pyrazole-4-carboxamide is O=C(NCC1CCN(C[C@@H]2C[C@H]2c2ccccc2)CC1)c1cn[nH]c1.
What is the InChIKey of N-[[1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidin-4-yl]methyl]-1H-pyrazole-4-carboxamide?
The InChIKey is DYLSFXHAZZPRLK-HKUYNNGSSA-N. The full InChI is InChI=1S/C20H26N4O/c25-20(18-12-22-23-13-18)21-11-15-6-8-24(9-7-15)14-17-10-19(17)16-4-2-1-3-5-16/h1-5,12-13,15,17,19H,6-11,14H2,(H,21,25)(H,22,23)/t17-,19-/m0/s1.
What are the key properties of N-[[1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidin-4-yl]methyl]-1H-pyrazole-4-carboxamide?
N-[[1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidin-4-yl]methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 338.45 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidin-4-yl]methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 58933801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).