2-[4-[2-(aminomethyl)pyrrolidine-1-carbonyl]pyrazol-1-yl]-N-cyclohexylacetamide;hydrochloride

C17H28ClN5O2 — CID 119633259

IUPAC2-[4-[2-(aminomethyl)pyrrolidine-1-carbonyl]pyrazol-1-yl]-N-cyclohexylacetamide;hydrochloride
SMILESCl.NCC1CCCN1C(=O)c1cnn(CC(=O)NC2CCCCC2)c1
InChIInChI=1S/C17H27N5O2.ClH/c18-9-15-7-4-8-22(15)17(24)13-10-19-21(11-13)12-16(23)20-14-5-2-1-3-6-14;/h10-11,14-15H,1-9,12,18H2,(H,20,23);1H
InChIKeyMGHVDZPWKZBFHP-UHFFFAOYSA-N
MW369.90 g/mol
LogP1.32
Rot. Bonds5

About 2-[4-[2-(aminomethyl)pyrrolidine-1-carbonyl]pyrazol-1-yl]-N-cyclohexylacetamide;hydrochloride

2-[4-[2-(aminomethyl)pyrrolidine-1-carbonyl]pyrazol-1-yl]-N-cyclohexylacetamide;hydrochloride (PubChem CID 119633259) has the molecular formula C17H28ClN5O2 and a molecular weight of 369.90 g/mol. Its IUPAC name is 2-[4-[2-(aminomethyl)pyrrolidine-1-carbonyl]pyrazol-1-yl]-N-cyclohexylacetamide;hydrochloride.

Molecular Properties

Compound Name2-[4-[2-(aminomethyl)pyrrolidine-1-carbonyl]pyrazol-1-yl]-N-cyclohexylacetamide;hydrochloride
PubChem CID119633259
Molecular FormulaC17H28ClN5O2
Molecular Weight369.90 g/mol
Exact Mass369.19
IUPAC Name2-[4-[2-(aminomethyl)pyrrolidine-1-carbonyl]pyrazol-1-yl]-N-cyclohexylacetamide;hydrochloride
SMILESCl.NCC1CCCN1C(=O)c1cnn(CC(=O)NC2CCCCC2)c1
InChIInChI=1S/C17H27N5O2.ClH/c18-9-15-7-4-8-22(15)17(24)13-10-19-21(11-13)12-16(23)20-14-5-2-1-3-6-14;/h10-11,14-15H,1-9,12,18H2,(H,20,23);1H
InChIKeyMGHVDZPWKZBFHP-UHFFFAOYSA-N
XLogP1.32
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.90
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[4-(aminomethyl)piperidine-1-carbonyl]pyrazol-1-yl]-N-cyclohexylacetamide
CID 119423613
(2R)-1-[1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carbonyl]piperidine-2-carboxylic acid
CID 120537481
1-[2-(cyclooctylamino)-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19622340
2-[4-[4-(1-aminoethyl)piperidine-1-carbonyl]pyrazol-1-yl]-N-cyclohexylacetamide
CID 119519390
(3S)-1-[1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carbonyl]piperidine-3-carboxylic acid
CID 120514198
N-cyclohexyl-2-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]pyrazol-1-yl]acetamide;hydrochloride
CID 119397411
N-[2-(aminomethyl)cyclohexyl]-1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carboxamide;hydrochloride
CID 119611274
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-cyclohexylacetamide;hydrochloride
CID 119926969
(1-cyclopropylcyclopropyl) 1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carboxylate
CID 71974818
1-[2-(cyclohexylamino)-2-oxoethyl]-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide
CID 119502724
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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(aminomethyl)pyrrolidine-1-carbonyl]pyrazol-1-yl]-N-cyclohexylacetamide;hydrochloride?
The IUPAC name of 2-[4-[2-(aminomethyl)pyrrolidine-1-carbonyl]pyrazol-1-yl]-N-cyclohexylacetamide;hydrochloride (CID 119633259) is 2-[4-[2-(aminomethyl)pyrrolidine-1-carbonyl]pyrazol-1-yl]-N-cyclohexylacetamide;hydrochloride.
What is the SMILES notation for 2-[4-[2-(aminomethyl)pyrrolidine-1-carbonyl]pyrazol-1-yl]-N-cyclohexylacetamide;hydrochloride?
The canonical SMILES for 2-[4-[2-(aminomethyl)pyrrolidine-1-carbonyl]pyrazol-1-yl]-N-cyclohexylacetamide;hydrochloride is Cl.NCC1CCCN1C(=O)c1cnn(CC(=O)NC2CCCCC2)c1.
What is the InChIKey of 2-[4-[2-(aminomethyl)pyrrolidine-1-carbonyl]pyrazol-1-yl]-N-cyclohexylacetamide;hydrochloride?
The InChIKey is MGHVDZPWKZBFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2.ClH/c18-9-15-7-4-8-22(15)17(24)13-10-19-21(11-13)12-16(23)20-14-5-2-1-3-6-14;/h10-11,14-15H,1-9,12,18H2,(H,20,23);1H.
What are the key properties of 2-[4-[2-(aminomethyl)pyrrolidine-1-carbonyl]pyrazol-1-yl]-N-cyclohexylacetamide;hydrochloride?
2-[4-[2-(aminomethyl)pyrrolidine-1-carbonyl]pyrazol-1-yl]-N-cyclohexylacetamide;hydrochloride has a molecular weight of 369.90 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(aminomethyl)pyrrolidine-1-carbonyl]pyrazol-1-yl]-N-cyclohexylacetamide;hydrochloride is sourced from PubChem (CID 119633259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).