(3-amino-4-methylpyrrolidin-1-yl)-(1-phenylpyrazol-4-yl)methanone

C15H18N4O — CID 103575963

IUPAC(3-amino-4-methylpyrrolidin-1-yl)-(1-phenylpyrazol-4-yl)methanone
SMILESCC1CN(C(=O)c2cnn(-c3ccccc3)c2)CC1N
InChIInChI=1S/C15H18N4O/c1-11-8-18(10-14(11)16)15(20)12-7-17-19(9-12)13-5-3-2-4-6-13/h2-7,9,11,14H,8,10,16H2,1H3
InChIKeyJZICSORENQNUIM-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.29
Rot. Bonds2

About (3-amino-4-methylpyrrolidin-1-yl)-(1-phenylpyrazol-4-yl)methanone

(3-amino-4-methylpyrrolidin-1-yl)-(1-phenylpyrazol-4-yl)methanone (PubChem CID 103575963) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is (3-amino-4-methylpyrrolidin-1-yl)-(1-phenylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(3-amino-4-methylpyrrolidin-1-yl)-(1-phenylpyrazol-4-yl)methanone
PubChem CID103575963
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name(3-amino-4-methylpyrrolidin-1-yl)-(1-phenylpyrazol-4-yl)methanone
SMILESCC1CN(C(=O)c2cnn(-c3ccccc3)c2)CC1N
InChIInChI=1S/C15H18N4O/c1-11-8-18(10-14(11)16)15(20)12-7-17-19(9-12)13-5-3-2-4-6-13/h2-7,9,11,14H,8,10,16H2,1H3
InChIKeyJZICSORENQNUIM-UHFFFAOYSA-N
XLogP1.29
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-amino-4-methylpyrrolidin-1-yl)-(1-phenylpyrazol-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-amino-4-cyclopropylpyrrolidin-1-yl)-(1-phenylpyrazol-4-yl)methanone
CID 156605171
(4-aminopiperidin-1-yl)-(1-phenylpyrazol-4-yl)methanone
CID 28742248
[(3R)-3-methylpiperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone
CID 81426790
azepan-1-yl-(1-phenylpyrazol-4-yl)methanone
CID 60667576
[1-(3-chlorophenyl)pyrazol-4-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 94582638
(3S,4S)-4-methyl-1-[1-(2-methylphenyl)pyrazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 120953540
[1-(1-phenylpyrazole-4-carbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 119075063
[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(1-phenylpyrazol-4-yl)methanone
CID 70764759
[3-(chloromethyl)pyrrolidin-1-yl]-(1-phenylpyrazol-4-yl)methanone
CID 63396082
1,4-diazepan-1-yl-(1-phenylpyrazol-4-yl)methanone
CID 28742263
(4-benzhydrylpiperazin-1-yl)-(1-phenylpyrazol-4-yl)methanone
CID 9041268
(2R,3R)-2-methyl-1-(1-phenylpyrazole-4-carbonyl)piperidine-3-carboxylic acid
CID 122115093

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-methylpyrrolidin-1-yl)-(1-phenylpyrazol-4-yl)methanone?
The IUPAC name of (3-amino-4-methylpyrrolidin-1-yl)-(1-phenylpyrazol-4-yl)methanone (CID 103575963) is (3-amino-4-methylpyrrolidin-1-yl)-(1-phenylpyrazol-4-yl)methanone.
What is the SMILES notation for (3-amino-4-methylpyrrolidin-1-yl)-(1-phenylpyrazol-4-yl)methanone?
The canonical SMILES for (3-amino-4-methylpyrrolidin-1-yl)-(1-phenylpyrazol-4-yl)methanone is CC1CN(C(=O)c2cnn(-c3ccccc3)c2)CC1N.
What is the InChIKey of (3-amino-4-methylpyrrolidin-1-yl)-(1-phenylpyrazol-4-yl)methanone?
The InChIKey is JZICSORENQNUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-11-8-18(10-14(11)16)15(20)12-7-17-19(9-12)13-5-3-2-4-6-13/h2-7,9,11,14H,8,10,16H2,1H3.
What are the key properties of (3-amino-4-methylpyrrolidin-1-yl)-(1-phenylpyrazol-4-yl)methanone?
(3-amino-4-methylpyrrolidin-1-yl)-(1-phenylpyrazol-4-yl)methanone has a molecular weight of 270.34 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-methylpyrrolidin-1-yl)-(1-phenylpyrazol-4-yl)methanone is sourced from PubChem (CID 103575963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).