(2S)-2-(aminomethyl)-N-[1-[(2-chlorophenyl)methyl]-4-methylpyrazol-5-yl]piperidine-1-carboxamide

C18H24ClN5O — CID 125156367

IUPAC(2S)-2-(aminomethyl)-N-[1-[(2-chlorophenyl)methyl]-4-methylpyrazol-5-yl]piperidine-1-carboxamide
SMILESCc1cnn(Cc2ccccc2Cl)c1NC(=O)N1CCCC[C@H]1CN
InChIInChI=1S/C18H24ClN5O/c1-13-11-21-24(12-14-6-2-3-8-16(14)19)17(13)22-18(25)23-9-5-4-7-15(23)10-20/h2-3,6,8,11,15H,4-5,7,9-10,12,20H2,1H3,(H,22,25)/t15-/m0/s1
InChIKeyDFTNTGRFGNGOEX-HNNXBMFYSA-N
MW361.88 g/mol
LogP3.24
Rot. Bonds4

About (2S)-2-(aminomethyl)-N-[1-[(2-chlorophenyl)methyl]-4-methylpyrazol-5-yl]piperidine-1-carboxamide

(2S)-2-(aminomethyl)-N-[1-[(2-chlorophenyl)methyl]-4-methylpyrazol-5-yl]piperidine-1-carboxamide (PubChem CID 125156367) has the molecular formula C18H24ClN5O and a molecular weight of 361.88 g/mol. Its IUPAC name is (2S)-2-(aminomethyl)-N-[1-[(2-chlorophenyl)methyl]-4-methylpyrazol-5-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-(aminomethyl)-N-[1-[(2-chlorophenyl)methyl]-4-methylpyrazol-5-yl]piperidine-1-carboxamide
PubChem CID125156367
Molecular FormulaC18H24ClN5O
Molecular Weight361.88 g/mol
Exact Mass361.17
IUPAC Name(2S)-2-(aminomethyl)-N-[1-[(2-chlorophenyl)methyl]-4-methylpyrazol-5-yl]piperidine-1-carboxamide
SMILESCc1cnn(Cc2ccccc2Cl)c1NC(=O)N1CCCC[C@H]1CN
InChIInChI=1S/C18H24ClN5O/c1-13-11-21-24(12-14-6-2-3-8-16(14)19)17(13)22-18(25)23-9-5-4-7-15(23)10-20/h2-3,6,8,11,15H,4-5,7,9-10,12,20H2,1H3,(H,22,25)/t15-/m0/s1
InChIKeyDFTNTGRFGNGOEX-HNNXBMFYSA-N
XLogP3.24
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.88
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-[1-[(3-chlorophenyl)methyl]-4-methylpyrazol-5-yl]piperidine-1-carboxamide;hydrochloride
CID 154903038
(3R)-N-[1-[(2-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-3-(methoxymethyl)piperidine-1-carboxamide
CID 125162851
1-[(2S)-2-(aminomethyl)piperidin-1-yl]-3-(2-chlorophenyl)propan-1-one
CID 124573392
N-[1-[(2-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-1,2-oxazole-5-carboxamide
CID 155916731
1-[2-(aminomethyl)azepan-1-yl]-3-(2-methylphenyl)propan-1-one
CID 116639941
[2-(aminomethyl)piperidin-1-yl]-(2-methylphenyl)methanone;hydrochloride
CID 119466148
[1-[(2-chlorophenyl)methyl]piperidin-2-yl]methanamine
CID 43187060
5-[2-(aminomethyl)piperidine-1-carbonyl]-1-[(2-chlorophenyl)methyl]pyridin-2-one
CID 119469651
(2S)-2-[(2-chlorophenyl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 94651832
[2-(aminomethyl)pyrrolidin-1-yl]-(2-chlorophenyl)methanone
CID 81482963
(3S,4S)-N-[2-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3,4-dihydroxypiperidine-1-carboxamide
CID 118791693
N-(2,6-dichlorophenyl)-2-ethylpiperidine-1-carboxamide
CID 108990919

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(aminomethyl)-N-[1-[(2-chlorophenyl)methyl]-4-methylpyrazol-5-yl]piperidine-1-carboxamide?
The IUPAC name of (2S)-2-(aminomethyl)-N-[1-[(2-chlorophenyl)methyl]-4-methylpyrazol-5-yl]piperidine-1-carboxamide (CID 125156367) is (2S)-2-(aminomethyl)-N-[1-[(2-chlorophenyl)methyl]-4-methylpyrazol-5-yl]piperidine-1-carboxamide.
What is the SMILES notation for (2S)-2-(aminomethyl)-N-[1-[(2-chlorophenyl)methyl]-4-methylpyrazol-5-yl]piperidine-1-carboxamide?
The canonical SMILES for (2S)-2-(aminomethyl)-N-[1-[(2-chlorophenyl)methyl]-4-methylpyrazol-5-yl]piperidine-1-carboxamide is Cc1cnn(Cc2ccccc2Cl)c1NC(=O)N1CCCC[C@H]1CN.
What is the InChIKey of (2S)-2-(aminomethyl)-N-[1-[(2-chlorophenyl)methyl]-4-methylpyrazol-5-yl]piperidine-1-carboxamide?
The InChIKey is DFTNTGRFGNGOEX-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H24ClN5O/c1-13-11-21-24(12-14-6-2-3-8-16(14)19)17(13)22-18(25)23-9-5-4-7-15(23)10-20/h2-3,6,8,11,15H,4-5,7,9-10,12,20H2,1H3,(H,22,25)/t15-/m0/s1.
What are the key properties of (2S)-2-(aminomethyl)-N-[1-[(2-chlorophenyl)methyl]-4-methylpyrazol-5-yl]piperidine-1-carboxamide?
(2S)-2-(aminomethyl)-N-[1-[(2-chlorophenyl)methyl]-4-methylpyrazol-5-yl]piperidine-1-carboxamide has a molecular weight of 361.88 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(aminomethyl)-N-[1-[(2-chlorophenyl)methyl]-4-methylpyrazol-5-yl]piperidine-1-carboxamide is sourced from PubChem (CID 125156367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).