N-cyclohexyl-2-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]pyrazol-1-yl]acetamide;hydrochloride

C19H32ClN5O2 — CID 119397411

IUPACN-cyclohexyl-2-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]pyrazol-1-yl]acetamide;hydrochloride
SMILESCNCC1CCCN(C(=O)c2cnn(CC(=O)NC3CCCCC3)c2)C1.Cl
InChIInChI=1S/C19H31N5O2.ClH/c1-20-10-15-6-5-9-23(12-15)19(26)16-11-21-24(13-16)14-18(25)22-17-7-3-2-4-8-17;/h11,13,15,17,20H,2-10,12,14H2,1H3,(H,22,25);1H
InChIKeyMMOMXEPJWCPTCH-UHFFFAOYSA-N
MW397.95 g/mol
LogP1.83
Rot. Bonds6

About N-cyclohexyl-2-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]pyrazol-1-yl]acetamide;hydrochloride

N-cyclohexyl-2-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]pyrazol-1-yl]acetamide;hydrochloride (PubChem CID 119397411) has the molecular formula C19H32ClN5O2 and a molecular weight of 397.95 g/mol. Its IUPAC name is N-cyclohexyl-2-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]pyrazol-1-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-cyclohexyl-2-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]pyrazol-1-yl]acetamide;hydrochloride
PubChem CID119397411
Molecular FormulaC19H32ClN5O2
Molecular Weight397.95 g/mol
Exact Mass397.22
IUPAC NameN-cyclohexyl-2-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]pyrazol-1-yl]acetamide;hydrochloride
SMILESCNCC1CCCN(C(=O)c2cnn(CC(=O)NC3CCCCC3)c2)C1.Cl
InChIInChI=1S/C19H31N5O2.ClH/c1-20-10-15-6-5-9-23(12-15)19(26)16-11-21-24(13-16)14-18(25)22-17-7-3-2-4-8-17;/h11,13,15,17,20H,2-10,12,14H2,1H3,(H,22,25);1H
InChIKeyMMOMXEPJWCPTCH-UHFFFAOYSA-N
XLogP1.83
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.95
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1-ethylpyrazol-4-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119396309
(3S)-1-[1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carbonyl]piperidine-3-carboxylic acid
CID 120514198
2-[4-[4-(aminomethyl)piperidine-1-carbonyl]pyrazol-1-yl]-N-cyclohexylacetamide
CID 119423613
1-[2-(cyclooctylamino)-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19622340
2-[4-[2-(aminomethyl)pyrrolidine-1-carbonyl]pyrazol-1-yl]-N-cyclohexylacetamide;hydrochloride
CID 119633259
2-[4-[4-(1-aminoethyl)piperidine-1-carbonyl]pyrazol-1-yl]-N-cyclohexylacetamide
CID 119519390
1-[2-(cyclohexylamino)-2-oxoethyl]-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide
CID 119502724
[1-(4-bromophenyl)pyrazol-4-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119398252
[3-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 61204344
(2R)-1-[1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carbonyl]piperidine-2-carboxylic acid
CID 120537481
2-[4-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]pyrazol-1-yl]acetic acid
CID 61408275
[1-(3-chlorophenyl)pyrazol-4-yl]-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone
CID 124684827

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]pyrazol-1-yl]acetamide;hydrochloride?
The IUPAC name of N-cyclohexyl-2-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]pyrazol-1-yl]acetamide;hydrochloride (CID 119397411) is N-cyclohexyl-2-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]pyrazol-1-yl]acetamide;hydrochloride.
What is the SMILES notation for N-cyclohexyl-2-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]pyrazol-1-yl]acetamide;hydrochloride?
The canonical SMILES for N-cyclohexyl-2-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]pyrazol-1-yl]acetamide;hydrochloride is CNCC1CCCN(C(=O)c2cnn(CC(=O)NC3CCCCC3)c2)C1.Cl.
What is the InChIKey of N-cyclohexyl-2-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]pyrazol-1-yl]acetamide;hydrochloride?
The InChIKey is MMOMXEPJWCPTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O2.ClH/c1-20-10-15-6-5-9-23(12-15)19(26)16-11-21-24(13-16)14-18(25)22-17-7-3-2-4-8-17;/h11,13,15,17,20H,2-10,12,14H2,1H3,(H,22,25);1H.
What are the key properties of N-cyclohexyl-2-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]pyrazol-1-yl]acetamide;hydrochloride?
N-cyclohexyl-2-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]pyrazol-1-yl]acetamide;hydrochloride has a molecular weight of 397.95 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]pyrazol-1-yl]acetamide;hydrochloride is sourced from PubChem (CID 119397411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).