3-amino-N-[[1-[1-(3-chlorophenyl)pyrazole-3-carbonyl]piperidin-2-yl]methyl]propanamide

C19H24ClN5O2 — CID 120580221

IUPAC3-amino-N-[[1-[1-(3-chlorophenyl)pyrazole-3-carbonyl]piperidin-2-yl]methyl]propanamide
SMILESNCCC(=O)NCC1CCCCN1C(=O)c1ccn(-c2cccc(Cl)c2)n1
InChIInChI=1S/C19H24ClN5O2/c20-14-4-3-6-15(12-14)25-11-8-17(23-25)19(27)24-10-2-1-5-16(24)13-22-18(26)7-9-21/h3-4,6,8,11-12,16H,1-2,5,7,9-10,13,21H2,(H,22,26)
InChIKeyGYYVTWRBCUGCBW-UHFFFAOYSA-N
MW389.89 g/mol
LogP1.99
Rot. Bonds6

About 3-amino-N-[[1-[1-(3-chlorophenyl)pyrazole-3-carbonyl]piperidin-2-yl]methyl]propanamide

3-amino-N-[[1-[1-(3-chlorophenyl)pyrazole-3-carbonyl]piperidin-2-yl]methyl]propanamide (PubChem CID 120580221) has the molecular formula C19H24ClN5O2 and a molecular weight of 389.89 g/mol. Its IUPAC name is 3-amino-N-[[1-[1-(3-chlorophenyl)pyrazole-3-carbonyl]piperidin-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[[1-[1-(3-chlorophenyl)pyrazole-3-carbonyl]piperidin-2-yl]methyl]propanamide
PubChem CID120580221
Molecular FormulaC19H24ClN5O2
Molecular Weight389.89 g/mol
Exact Mass389.16
IUPAC Name3-amino-N-[[1-[1-(3-chlorophenyl)pyrazole-3-carbonyl]piperidin-2-yl]methyl]propanamide
SMILESNCCC(=O)NCC1CCCCN1C(=O)c1ccn(-c2cccc(Cl)c2)n1
InChIInChI=1S/C19H24ClN5O2/c20-14-4-3-6-15(12-14)25-11-8-17(23-25)19(27)24-10-2-1-5-16(24)13-22-18(26)7-9-21/h3-4,6,8,11-12,16H,1-2,5,7,9-10,13,21H2,(H,22,26)
InChIKeyGYYVTWRBCUGCBW-UHFFFAOYSA-N
XLogP1.99
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.89
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(aminomethyl)piperidin-1-yl]-[1-(3-chlorophenyl)pyrazol-3-yl]methanone
CID 119467359
3-amino-N-[[1-(4-chloro-2-fluorobenzoyl)piperidin-2-yl]methyl]propanamide
CID 120580015
3-amino-N-[[1-(6-oxo-1-phenylpyridazine-3-carbonyl)piperidin-2-yl]methyl]propanamide
CID 120579697
[(2S)-2-(aminomethyl)piperidin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone
CID 124573470
3-amino-N-[[1-(3,4-dichlorobenzoyl)piperidin-2-yl]methyl]propanamide
CID 120578289
3-amino-N-[[1-[2-(3-chlorophenyl)propanoyl]piperidin-2-yl]methyl]propanamide
CID 120579881
3-amino-N-[[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579938
[1-(3-fluorophenyl)pyrazol-3-yl]-[(2R)-2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124687400
[2-(aminomethyl)pyrrolidin-1-yl]-[1-(3-bromophenyl)pyrazol-3-yl]methanone;hydrochloride
CID 119634681
[2-(aminomethyl)pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone
CID 119634575
3-amino-N-[[1-[1-(4-methylphenyl)triazole-4-carbonyl]piperidin-2-yl]methyl]propanamide
CID 120578129
3-amino-N-[[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120580028

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-[1-(3-chlorophenyl)pyrazole-3-carbonyl]piperidin-2-yl]methyl]propanamide?
The IUPAC name of 3-amino-N-[[1-[1-(3-chlorophenyl)pyrazole-3-carbonyl]piperidin-2-yl]methyl]propanamide (CID 120580221) is 3-amino-N-[[1-[1-(3-chlorophenyl)pyrazole-3-carbonyl]piperidin-2-yl]methyl]propanamide.
What is the SMILES notation for 3-amino-N-[[1-[1-(3-chlorophenyl)pyrazole-3-carbonyl]piperidin-2-yl]methyl]propanamide?
The canonical SMILES for 3-amino-N-[[1-[1-(3-chlorophenyl)pyrazole-3-carbonyl]piperidin-2-yl]methyl]propanamide is NCCC(=O)NCC1CCCCN1C(=O)c1ccn(-c2cccc(Cl)c2)n1.
What is the InChIKey of 3-amino-N-[[1-[1-(3-chlorophenyl)pyrazole-3-carbonyl]piperidin-2-yl]methyl]propanamide?
The InChIKey is GYYVTWRBCUGCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN5O2/c20-14-4-3-6-15(12-14)25-11-8-17(23-25)19(27)24-10-2-1-5-16(24)13-22-18(26)7-9-21/h3-4,6,8,11-12,16H,1-2,5,7,9-10,13,21H2,(H,22,26).
What are the key properties of 3-amino-N-[[1-[1-(3-chlorophenyl)pyrazole-3-carbonyl]piperidin-2-yl]methyl]propanamide?
3-amino-N-[[1-[1-(3-chlorophenyl)pyrazole-3-carbonyl]piperidin-2-yl]methyl]propanamide has a molecular weight of 389.89 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-[1-(3-chlorophenyl)pyrazole-3-carbonyl]piperidin-2-yl]methyl]propanamide is sourced from PubChem (CID 120580221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).