N-[2-(aminomethyl)cyclohexyl]-1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carboxamide;hydrochloride

C19H32ClN5O2 — CID 119611274

IUPACN-[2-(aminomethyl)cyclohexyl]-1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carboxamide;hydrochloride
SMILESCl.NCC1CCCCC1NC(=O)c1cnn(CC(=O)NC2CCCCC2)c1
InChIInChI=1S/C19H31N5O2.ClH/c20-10-14-6-4-5-9-17(14)23-19(26)15-11-21-24(12-15)13-18(25)22-16-7-2-1-3-8-16;/h11-12,14,16-17H,1-10,13,20H2,(H,22,25)(H,23,26);1H
InChIKeyHHFBHGAZINFUII-UHFFFAOYSA-N
MW397.95 g/mol
LogP2.00
Rot. Bonds6

About N-[2-(aminomethyl)cyclohexyl]-1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carboxamide;hydrochloride

N-[2-(aminomethyl)cyclohexyl]-1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carboxamide;hydrochloride (PubChem CID 119611274) has the molecular formula C19H32ClN5O2 and a molecular weight of 397.95 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carboxamide;hydrochloride
PubChem CID119611274
Molecular FormulaC19H32ClN5O2
Molecular Weight397.95 g/mol
Exact Mass397.22
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carboxamide;hydrochloride
SMILESCl.NCC1CCCCC1NC(=O)c1cnn(CC(=O)NC2CCCCC2)c1
InChIInChI=1S/C19H31N5O2.ClH/c20-10-14-6-4-5-9-17(14)23-19(26)15-11-21-24(12-15)13-18(25)22-16-7-2-1-3-8-16;/h11-12,14,16-17H,1-10,13,20H2,(H,22,25)(H,23,26);1H
InChIKeyHHFBHGAZINFUII-UHFFFAOYSA-N
XLogP2.00
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.95
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-1-tert-butylpyrazole-4-carboxamide;hydrochloride
CID 119600768
1-[2-(cyclooctylamino)-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19622340
2-[4-(cyclooctylcarbamoyl)pyrazol-1-yl]acetic acid
CID 19621986
2-[4-[2-(aminomethyl)pyrrolidine-1-carbonyl]pyrazol-1-yl]-N-cyclohexylacetamide;hydrochloride
CID 119633259
1-[2-(cyclohexylamino)-2-oxoethyl]-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide
CID 119502724
2-[4-[4-(aminomethyl)piperidine-1-carbonyl]pyrazol-1-yl]-N-cyclohexylacetamide
CID 119423613
2-[[1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carbonyl]amino]-3-methylbutanoic acid
CID 119348304
1-[2-(cyclohexylamino)-2-oxoethyl]-N-(2-piperazin-1-ylethyl)pyrazole-4-carboxamide;hydrochloride
CID 119447622
4-[[1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carbonyl]amino]pentanoic acid
CID 120534951
N-[2-(aminomethyl)cyclopentyl]-1-(4-chlorophenyl)pyrazole-4-carboxamide
CID 119603915
(2R)-2-[[1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carbonyl]amino]-2-phenylacetic acid
CID 119367660
(3S)-1-[1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carbonyl]piperidine-3-carboxylic acid
CID 120514198

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carboxamide;hydrochloride (CID 119611274) is N-[2-(aminomethyl)cyclohexyl]-1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carboxamide;hydrochloride is Cl.NCC1CCCCC1NC(=O)c1cnn(CC(=O)NC2CCCCC2)c1.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carboxamide;hydrochloride?
The InChIKey is HHFBHGAZINFUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O2.ClH/c20-10-14-6-4-5-9-17(14)23-19(26)15-11-21-24(12-15)13-18(25)22-16-7-2-1-3-8-16;/h11-12,14,16-17H,1-10,13,20H2,(H,22,25)(H,23,26);1H.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carboxamide;hydrochloride?
N-[2-(aminomethyl)cyclohexyl]-1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carboxamide;hydrochloride has a molecular weight of 397.95 g/mol, XLogP of 2.00, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119611274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).