[(3R)-3-aminopyrrolidin-1-yl]-[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazol-4-yl]methanone

C18H21ClN4O — CID 119412250

IUPAC[(3R)-3-aminopyrrolidin-1-yl]-[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazol-4-yl]methanone
SMILESCc1ccc(-n2ncc(C(=O)N3CC[C@@H](N)C3)c2C2CC2)cc1Cl
InChIInChI=1S/C18H21ClN4O/c1-11-2-5-14(8-16(11)19)23-17(12-3-4-12)15(9-21-23)18(24)22-7-6-13(20)10-22/h2,5,8-9,12-13H,3-4,6-7,10,20H2,1H3/t13-/m1/s1
InChIKeyBJBNLYLNQURTKO-CYBMUJFWSA-N
MW344.85 g/mol
LogP2.88
Rot. Bonds3

About [(3R)-3-aminopyrrolidin-1-yl]-[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazol-4-yl]methanone

[(3R)-3-aminopyrrolidin-1-yl]-[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazol-4-yl]methanone (PubChem CID 119412250) has the molecular formula C18H21ClN4O and a molecular weight of 344.85 g/mol. Its IUPAC name is [(3R)-3-aminopyrrolidin-1-yl]-[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazol-4-yl]methanone.

Molecular Properties

Compound Name[(3R)-3-aminopyrrolidin-1-yl]-[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazol-4-yl]methanone
PubChem CID119412250
Molecular FormulaC18H21ClN4O
Molecular Weight344.85 g/mol
Exact Mass344.14
IUPAC Name[(3R)-3-aminopyrrolidin-1-yl]-[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazol-4-yl]methanone
SMILESCc1ccc(-n2ncc(C(=O)N3CC[C@@H](N)C3)c2C2CC2)cc1Cl
InChIInChI=1S/C18H21ClN4O/c1-11-2-5-14(8-16(11)19)23-17(12-3-4-12)15(9-21-23)18(24)22-7-6-13(20)10-22/h2,5,8-9,12-13H,3-4,6-7,10,20H2,1H3/t13-/m1/s1
InChIKeyBJBNLYLNQURTKO-CYBMUJFWSA-N
XLogP2.88
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.85
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3R)-3-aminopyrrolidin-1-yl]-[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazol-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

(3R)-1-[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 124698115
[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazol-4-yl]-piperazin-1-ylmethanone
CID 119402776
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazol-4-yl]methanone
CID 120656709
(3S,4S)-1-[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carbonyl]-4-methylpyrrolidine-3-carboxylic acid
CID 120952735
1-[4-[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carbonyl]piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 55802149
2-[4-[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carbonyl]piperazin-1-yl]-N,N-diethylacetamide
CID 38425533
[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazol-4-yl]-[4-(3-hydroxypropoxy)piperidin-1-yl]methanone
CID 71853509
1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide
CID 119503054
2-[[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carbonyl]-methylamino]acetic acid
CID 119172518
5-cyclopropyl-1-(3,4-dichlorophenyl)pyrazole-4-carboxylic acid
CID 28606372
N-(2-amino-2-ethylbutyl)-1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carboxamide;hydrochloride
CID 119642684
[(3R)-3-aminopyrrolidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 119412099

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazol-4-yl]methanone?
The IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazol-4-yl]methanone (CID 119412250) is [(3R)-3-aminopyrrolidin-1-yl]-[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazol-4-yl]methanone.
What is the SMILES notation for [(3R)-3-aminopyrrolidin-1-yl]-[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazol-4-yl]methanone?
The canonical SMILES for [(3R)-3-aminopyrrolidin-1-yl]-[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazol-4-yl]methanone is Cc1ccc(-n2ncc(C(=O)N3CC[C@@H](N)C3)c2C2CC2)cc1Cl.
What is the InChIKey of [(3R)-3-aminopyrrolidin-1-yl]-[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazol-4-yl]methanone?
The InChIKey is BJBNLYLNQURTKO-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H21ClN4O/c1-11-2-5-14(8-16(11)19)23-17(12-3-4-12)15(9-21-23)18(24)22-7-6-13(20)10-22/h2,5,8-9,12-13H,3-4,6-7,10,20H2,1H3/t13-/m1/s1.
What are the key properties of [(3R)-3-aminopyrrolidin-1-yl]-[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazol-4-yl]methanone?
[(3R)-3-aminopyrrolidin-1-yl]-[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazol-4-yl]methanone has a molecular weight of 344.85 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-aminopyrrolidin-1-yl]-[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazol-4-yl]methanone is sourced from PubChem (CID 119412250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).