[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]methanone

C20H21ClN4O2 — CID 120807615

IUPAC[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]methanone
SMILESCC1(CN)CCN(C(=O)c2cc(-c3ccco3)n(-c3cccc(Cl)c3)n2)C1
InChIInChI=1S/C20H21ClN4O2/c1-20(12-22)7-8-24(13-20)19(26)16-11-17(18-6-3-9-27-18)25(23-16)15-5-2-4-14(21)10-15/h2-6,9-11H,7-8,12-13,22H2,1H3
InChIKeyNJZDHYKKBIKSBR-UHFFFAOYSA-N
MW384.87 g/mol
LogP3.60
Rot. Bonds4

About [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]methanone

[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]methanone (PubChem CID 120807615) has the molecular formula C20H21ClN4O2 and a molecular weight of 384.87 g/mol. Its IUPAC name is [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]methanone.

Molecular Properties

Compound Name[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]methanone
PubChem CID120807615
Molecular FormulaC20H21ClN4O2
Molecular Weight384.87 g/mol
Exact Mass384.14
IUPAC Name[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]methanone
SMILESCC1(CN)CCN(C(=O)c2cc(-c3ccco3)n(-c3cccc(Cl)c3)n2)C1
InChIInChI=1S/C20H21ClN4O2/c1-20(12-22)7-8-24(13-20)19(26)16-11-17(18-6-3-9-27-18)25(23-16)15-5-2-4-14(21)10-15/h2-6,9-11H,7-8,12-13,22H2,1H3
InChIKeyNJZDHYKKBIKSBR-UHFFFAOYSA-N
XLogP3.60
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3-Chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]-piperidin-1-ylmethanone
CID 1053503
2-[5-(2-furyl)-3-methyl-1H-pyrazol-1-yl]-N-(3-phenylpropyl)acetamide
CID 5308195
N-benzyl-2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]acetamide
CID 6620408
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 16301506
N-(4-chlorophenyl)-1-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperidine-3-carboxamide
CID 121318024
2-(4-chlorophenyl)-5-(furan-2-yl)-N-propan-2-ylpyrazole-3-carboxamide
CID 2382321
1-(4-chlorophenyl)-5-(furan-2-yl)-N-methylpyrazole-3-carboxamide
CID 18155726
5-[(4-Chlorophenyl)methyl]-N-cyclohexyl-2-(furan-2-YL)-6-methyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-A]pyrazine-6-carboxamide
CID 46260835
5-[(2-Chlorophenyl)methyl]-N-cyclohexyl-2-(furan-2-YL)-6-methyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-A]pyrazine-6-carboxamide
CID 46272479
5-[2-(4-Chlorophenyl)ethyl]-N-cyclohexyl-2-(furan-2-YL)-6-methyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-A]pyrazine-6-carboxamide
CID 46272480
N-Cyclohexyl-2-(furan-2-YL)-5-[(furan-2-YL)methyl]-6-methyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-A]pyrazine-6-carboxamide
CID 46272486
5-[(3-Chlorophenyl)methyl]-N-cycloheptyl-2-(furan-2-YL)-6-methyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-A]pyrazine-6-carboxamide
CID 46272557

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]methanone?
The IUPAC name of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]methanone (CID 120807615) is [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]methanone.
What is the SMILES notation for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]methanone?
The canonical SMILES for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]methanone is CC1(CN)CCN(C(=O)c2cc(-c3ccco3)n(-c3cccc(Cl)c3)n2)C1.
What is the InChIKey of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]methanone?
The InChIKey is NJZDHYKKBIKSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O2/c1-20(12-22)7-8-24(13-20)19(26)16-11-17(18-6-3-9-27-18)25(23-16)15-5-2-4-14(21)10-15/h2-6,9-11H,7-8,12-13,22H2,1H3.
What are the key properties of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]methanone?
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]methanone has a molecular weight of 384.87 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]methanone is sourced from PubChem (CID 120807615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).