(1-aminocyclobutyl)-[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone

C19H23ClN4O — CID 56709112

IUPAC(1-aminocyclobutyl)-[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
SMILESNC1(C(=O)N2CCC(c3cc(-c4ccccc4Cl)n[nH]3)CC2)CCC1
InChIInChI=1S/C19H23ClN4O/c20-15-5-2-1-4-14(15)17-12-16(22-23-17)13-6-10-24(11-7-13)18(25)19(21)8-3-9-19/h1-2,4-5,12-13H,3,6-11,21H2,(H,22,23)
InChIKeyCJHJGOJXVBMXBD-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.32
Rot. Bonds3

About (1-aminocyclobutyl)-[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone

(1-aminocyclobutyl)-[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone (PubChem CID 56709112) has the molecular formula C19H23ClN4O and a molecular weight of 358.87 g/mol. Its IUPAC name is (1-aminocyclobutyl)-[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-aminocyclobutyl)-[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
PubChem CID56709112
Molecular FormulaC19H23ClN4O
Molecular Weight358.87 g/mol
Exact Mass358.16
IUPAC Name(1-aminocyclobutyl)-[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
SMILESNC1(C(=O)N2CCC(c3cc(-c4ccccc4Cl)n[nH]3)CC2)CCC1
InChIInChI=1S/C19H23ClN4O/c20-15-5-2-1-4-14(15)17-12-16(22-23-17)13-6-10-24(11-7-13)18(25)19(21)8-3-9-19/h1-2,4-5,12-13H,3,6-11,21H2,(H,22,23)
InChIKeyCJHJGOJXVBMXBD-UHFFFAOYSA-N
XLogP3.32
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

SP2456
CID 447945
3-(4-chlorophenyl)-N-[(1-methylpiperidin-4-ylidene)amino]-1H-pyrazole-5-carboxamide
CID 4096003
2-cyclohexyl-2-(diaminomethylideneamino)-N-[2-[4-[3-(2,3-dichlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]acetamide
CID 23530924
(3-(2,4-dichlorophenyl)-1H-pyrazol-5-yl)(4-methylpiperazin-1-yl)methanone
CID 24178134
(3-(2,4-dichlorophenyl)-1H-pyrazol-5-yl)(4-ethylpiperazin-1-yl)methanone
CID 24178135
(2R)-2-cyclohexyl-2-(diaminomethylideneamino)-N-[2-[4-[3-(2,4-dichlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]acetamide
CID 11156875
2-[1-(2-chloro-6-fluorobenzyl)-3-oxopiperazin-2-yl]-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]acetamide
CID 16190584
[3-(2,4-dichlorophenyl)-1H-pyrazol-5-yl]-piperidino-methanone
CID 24178127
(2R)-N-[2-[4-[3-(3-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-cyclohexyl-2-(diaminomethylideneamino)acetamide
CID 11167953
(2R)-N-[2-[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-cyclohexyl-2-(diaminomethylideneamino)acetamide
CID 11271985
[5-(4-chlorophenyl)-1H-pyrazol-3-yl](piperidin-1-yl)methanone
CID 25342128
2-(2-Chlorophenyl)-1-[3-(4-methylpiperidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 46076163

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclobutyl)-[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
The IUPAC name of (1-aminocyclobutyl)-[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone (CID 56709112) is (1-aminocyclobutyl)-[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (1-aminocyclobutyl)-[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
The canonical SMILES for (1-aminocyclobutyl)-[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone is NC1(C(=O)N2CCC(c3cc(-c4ccccc4Cl)n[nH]3)CC2)CCC1.
What is the InChIKey of (1-aminocyclobutyl)-[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
The InChIKey is CJHJGOJXVBMXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O/c20-15-5-2-1-4-14(15)17-12-16(22-23-17)13-6-10-24(11-7-13)18(25)19(21)8-3-9-19/h1-2,4-5,12-13H,3,6-11,21H2,(H,22,23).
What are the key properties of (1-aminocyclobutyl)-[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
(1-aminocyclobutyl)-[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone has a molecular weight of 358.87 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclobutyl)-[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 56709112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).