2-[1-(2-methylpyrazole-3-carbonyl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetonitrile

C24H30N6O — CID 118297932

IUPAC2-[1-(2-methylpyrazole-3-carbonyl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetonitrile
SMILESCn1nccc1C(=O)N1CC(CC#N)(N2CCC(N[C@@H]3CC3c3ccccc3)CC2)C1
InChIInChI=1S/C24H30N6O/c1-28-22(7-12-26-28)23(31)29-16-24(17-29,10-11-25)30-13-8-19(9-14-30)27-21-15-20(21)18-5-3-2-4-6-18/h2-7,12,19-21,27H,8-10,13-17H2,1H3/t20?,21-/m1/s1
InChIKeyNQZHVXXBZTZCFM-BPGUCPLFSA-N
MW418.55 g/mol
LogP2.14
Rot. Bonds6

About 2-[1-(2-methylpyrazole-3-carbonyl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetonitrile

2-[1-(2-methylpyrazole-3-carbonyl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetonitrile (PubChem CID 118297932) has the molecular formula C24H30N6O and a molecular weight of 418.55 g/mol. Its IUPAC name is 2-[1-(2-methylpyrazole-3-carbonyl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[1-(2-methylpyrazole-3-carbonyl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetonitrile
PubChem CID118297932
Molecular FormulaC24H30N6O
Molecular Weight418.55 g/mol
Exact Mass418.25
IUPAC Name2-[1-(2-methylpyrazole-3-carbonyl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetonitrile
SMILESCn1nccc1C(=O)N1CC(CC#N)(N2CCC(N[C@@H]3CC3c3ccccc3)CC2)C1
InChIInChI=1S/C24H30N6O/c1-28-22(7-12-26-28)23(31)29-16-24(17-29,10-11-25)30-13-8-19(9-14-30)27-21-15-20(21)18-5-3-2-4-6-18/h2-7,12,19-21,27H,8-10,13-17H2,1H3/t20?,21-/m1/s1
InChIKeyNQZHVXXBZTZCFM-BPGUCPLFSA-N
XLogP2.14
TPSA77.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.55
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-benzylpiperidin-4-yl)-2-methylpyrazole-3-carboxamide
CID 6468083
3-tert-butyl-N-[(2S)-1-(cyanomethylamino)-3-[3-(1-methylpyrazol-4-yl)phenyl]-1-oxopropan-2-yl]-1-methylpyrazole-5-carboxamide
CID 45267632
N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]pyridine-4-carboxamide
CID 53378705
N-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]-4-(2-methylpyrazol-3-yl)benzamide
CID 118408862
N-[(3S)-1-(cyclobutylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]-1-cyclopentyl-5-(2-cyclopropylphenyl)pyrazole-3-carboxamide
CID 129226854
5-N-cyclopropyl-3-N-methyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide
CID 153297976
Hu7691 free base
CID 135274950
5-ethyl-N-[1-(2-fluorobenzyl)-3-piperidyl]-2-methyl-pyrazole-3-carboxamide
CID 24790764
1-[(1-ethyl-3-methyl-1H-pyrazol-5-yl)carbonyl]-N-(4-isopropylphenyl)-3-piperidinamine
CID 24790840
2-methyl-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]pyrazole-3-carboxamide
CID 24791246
N-[1-(4-isobutylbenzyl)-3-piperidinyl]-2-(3-methyl-1H-pyrazol-1-yl)acetamide
CID 24818965
N-(4-isopropylphenyl)-1-(2-(pyridin-4-yl)ethyl)-1H-pyrazole-5-carboxamide
CID 44431903

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylpyrazole-3-carbonyl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetonitrile?
The IUPAC name of 2-[1-(2-methylpyrazole-3-carbonyl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetonitrile (CID 118297932) is 2-[1-(2-methylpyrazole-3-carbonyl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetonitrile.
What is the SMILES notation for 2-[1-(2-methylpyrazole-3-carbonyl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetonitrile?
The canonical SMILES for 2-[1-(2-methylpyrazole-3-carbonyl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetonitrile is Cn1nccc1C(=O)N1CC(CC#N)(N2CCC(N[C@@H]3CC3c3ccccc3)CC2)C1.
What is the InChIKey of 2-[1-(2-methylpyrazole-3-carbonyl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetonitrile?
The InChIKey is NQZHVXXBZTZCFM-BPGUCPLFSA-N. The full InChI is InChI=1S/C24H30N6O/c1-28-22(7-12-26-28)23(31)29-16-24(17-29,10-11-25)30-13-8-19(9-14-30)27-21-15-20(21)18-5-3-2-4-6-18/h2-7,12,19-21,27H,8-10,13-17H2,1H3/t20?,21-/m1/s1.
What are the key properties of 2-[1-(2-methylpyrazole-3-carbonyl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetonitrile?
2-[1-(2-methylpyrazole-3-carbonyl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetonitrile has a molecular weight of 418.55 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylpyrazole-3-carbonyl)-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetonitrile is sourced from PubChem (CID 118297932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).