2-(aminomethyl)-N-[1-[(3-chlorophenyl)methyl]-4-methylpyrazol-5-yl]piperidine-1-carboxamide;hydrochloride

C18H25Cl2N5O — CID 154903038

IUPAC2-(aminomethyl)-N-[1-[(3-chlorophenyl)methyl]-4-methylpyrazol-5-yl]piperidine-1-carboxamide;hydrochloride
SMILESCc1cnn(Cc2cccc(Cl)c2)c1NC(=O)N1CCCCC1CN.Cl
InChIInChI=1S/C18H24ClN5O.ClH/c1-13-11-21-24(12-14-5-4-6-15(19)9-14)17(13)22-18(25)23-8-3-2-7-16(23)10-20;/h4-6,9,11,16H,2-3,7-8,10,12,20H2,1H3,(H,22,25);1H
InChIKeyFQYSOPJKFCDVOO-UHFFFAOYSA-N
MW398.34 g/mol
LogP3.66
Rot. Bonds4

About 2-(aminomethyl)-N-[1-[(3-chlorophenyl)methyl]-4-methylpyrazol-5-yl]piperidine-1-carboxamide;hydrochloride

2-(aminomethyl)-N-[1-[(3-chlorophenyl)methyl]-4-methylpyrazol-5-yl]piperidine-1-carboxamide;hydrochloride (PubChem CID 154903038) has the molecular formula C18H25Cl2N5O and a molecular weight of 398.34 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[1-[(3-chlorophenyl)methyl]-4-methylpyrazol-5-yl]piperidine-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-N-[1-[(3-chlorophenyl)methyl]-4-methylpyrazol-5-yl]piperidine-1-carboxamide;hydrochloride
PubChem CID154903038
Molecular FormulaC18H25Cl2N5O
Molecular Weight398.34 g/mol
Exact Mass397.14
IUPAC Name2-(aminomethyl)-N-[1-[(3-chlorophenyl)methyl]-4-methylpyrazol-5-yl]piperidine-1-carboxamide;hydrochloride
SMILESCc1cnn(Cc2cccc(Cl)c2)c1NC(=O)N1CCCCC1CN.Cl
InChIInChI=1S/C18H24ClN5O.ClH/c1-13-11-21-24(12-14-5-4-6-15(19)9-14)17(13)22-18(25)23-8-3-2-7-16(23)10-20;/h4-6,9,11,16H,2-3,7-8,10,12,20H2,1H3,(H,22,25);1H
InChIKeyFQYSOPJKFCDVOO-UHFFFAOYSA-N
XLogP3.66
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.34
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(aminomethyl)-N-[1-[(2-chlorophenyl)methyl]-4-methylpyrazol-5-yl]piperidine-1-carboxamide
CID 125156367
N-[1-[(3-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-3-(4-methylpiperazin-1-yl)propanamide
CID 157016154
(2R)-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 100627057
[2-(aminomethyl)piperidin-1-yl]-[1-(3-chlorophenyl)pyrazol-3-yl]methanone
CID 119467359
2-(aminomethyl)-N-(4-methoxy-3,5-dimethylphenyl)piperidine-1-carboxamide;hydrochloride
CID 154900859
[2-(aminomethyl)piperidin-1-yl]-(2-methylphenyl)methanone;hydrochloride
CID 119466148
2-[1-[(3-chlorophenyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61010111
N-(4-chloro-2-methylphenyl)-2-ethylpiperidine-1-carboxamide
CID 108990888
(2S)-2-(aminomethyl)-N-[3-(butanoylamino)phenyl]piperidine-1-carboxamide
CID 125164189
2-[1-[(3-chlorophenyl)methyl]piperidin-2-yl]acetamide
CID 69347873
[2-(aminomethyl)piperidin-1-yl]-[1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone
CID 119467604
1-[2-(aminomethyl)azepan-1-yl]-2-(3-methylphenyl)ethanone
CID 116639946

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[1-[(3-chlorophenyl)methyl]-4-methylpyrazol-5-yl]piperidine-1-carboxamide;hydrochloride?
The IUPAC name of 2-(aminomethyl)-N-[1-[(3-chlorophenyl)methyl]-4-methylpyrazol-5-yl]piperidine-1-carboxamide;hydrochloride (CID 154903038) is 2-(aminomethyl)-N-[1-[(3-chlorophenyl)methyl]-4-methylpyrazol-5-yl]piperidine-1-carboxamide;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)-N-[1-[(3-chlorophenyl)methyl]-4-methylpyrazol-5-yl]piperidine-1-carboxamide;hydrochloride?
The canonical SMILES for 2-(aminomethyl)-N-[1-[(3-chlorophenyl)methyl]-4-methylpyrazol-5-yl]piperidine-1-carboxamide;hydrochloride is Cc1cnn(Cc2cccc(Cl)c2)c1NC(=O)N1CCCCC1CN.Cl.
What is the InChIKey of 2-(aminomethyl)-N-[1-[(3-chlorophenyl)methyl]-4-methylpyrazol-5-yl]piperidine-1-carboxamide;hydrochloride?
The InChIKey is FQYSOPJKFCDVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN5O.ClH/c1-13-11-21-24(12-14-5-4-6-15(19)9-14)17(13)22-18(25)23-8-3-2-7-16(23)10-20;/h4-6,9,11,16H,2-3,7-8,10,12,20H2,1H3,(H,22,25);1H.
What are the key properties of 2-(aminomethyl)-N-[1-[(3-chlorophenyl)methyl]-4-methylpyrazol-5-yl]piperidine-1-carboxamide;hydrochloride?
2-(aminomethyl)-N-[1-[(3-chlorophenyl)methyl]-4-methylpyrazol-5-yl]piperidine-1-carboxamide;hydrochloride has a molecular weight of 398.34 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[1-[(3-chlorophenyl)methyl]-4-methylpyrazol-5-yl]piperidine-1-carboxamide;hydrochloride is sourced from PubChem (CID 154903038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).