(3-methyl-1-phenylpyrazol-4-yl)-[2-(1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone

C18H19N5O — CID 138035896

IUPAC(3-methyl-1-phenylpyrazol-4-yl)-[2-(1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone
SMILESCc1nn(-c2ccccc2)cc1C(=O)N1CCCC1c1cn[nH]c1
InChIInChI=1S/C18H19N5O/c1-13-16(12-23(21-13)15-6-3-2-4-7-15)18(24)22-9-5-8-17(22)14-10-19-20-11-14/h2-4,6-7,10-12,17H,5,8-9H2,1H3,(H,19,20)
InChIKeyHDFNELIFJGMETJ-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.88
Rot. Bonds3

About (3-methyl-1-phenylpyrazol-4-yl)-[2-(1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone

(3-methyl-1-phenylpyrazol-4-yl)-[2-(1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone (PubChem CID 138035896) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is (3-methyl-1-phenylpyrazol-4-yl)-[2-(1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-methyl-1-phenylpyrazol-4-yl)-[2-(1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone
PubChem CID138035896
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name(3-methyl-1-phenylpyrazol-4-yl)-[2-(1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone
SMILESCc1nn(-c2ccccc2)cc1C(=O)N1CCCC1c1cn[nH]c1
InChIInChI=1S/C18H19N5O/c1-13-16(12-23(21-13)15-6-3-2-4-7-15)18(24)22-9-5-8-17(22)14-10-19-20-11-14/h2-4,6-7,10-12,17H,5,8-9H2,1H3,(H,19,20)
InChIKeyHDFNELIFJGMETJ-UHFFFAOYSA-N
XLogP2.88
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-methyl-1-phenylpyrazol-4-yl)-[2-(1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone
CID 99698360
[2-(methylaminomethyl)pyrrolidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone
CID 119650742
[2-(1-aminoethyl)piperidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone
CID 119436418
tert-butyl 2-(1H-pyrazol-4-yl)pyrrolidine-1-carboxylate
CID 122170287
(2R)-N-(3-phenylprop-2-ynyl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 98573367
N-(3-phenylprop-2-ynyl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 84597437
[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone
CID 55668774
[2-(2-methylphenyl)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 54876822
3-amino-N-[[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579938
3-amino-2-methyl-3-phenyl-1-[2-(1H-pyrazol-4-yl)piperidin-1-yl]propan-1-one
CID 119888376
(5-amino-2-methyl-3-pyridinyl)-(2-phenylpyrrolidin-1-yl)methanone
CID 61039723
3-amino-1-[2-(1H-pyrazol-4-yl)piperidin-1-yl]propan-1-one
CID 119888402

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1-phenylpyrazol-4-yl)-[2-(1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (3-methyl-1-phenylpyrazol-4-yl)-[2-(1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone (CID 138035896) is (3-methyl-1-phenylpyrazol-4-yl)-[2-(1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-methyl-1-phenylpyrazol-4-yl)-[2-(1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (3-methyl-1-phenylpyrazol-4-yl)-[2-(1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone is Cc1nn(-c2ccccc2)cc1C(=O)N1CCCC1c1cn[nH]c1.
What is the InChIKey of (3-methyl-1-phenylpyrazol-4-yl)-[2-(1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone?
The InChIKey is HDFNELIFJGMETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-13-16(12-23(21-13)15-6-3-2-4-7-15)18(24)22-9-5-8-17(22)14-10-19-20-11-14/h2-4,6-7,10-12,17H,5,8-9H2,1H3,(H,19,20).
What are the key properties of (3-methyl-1-phenylpyrazol-4-yl)-[2-(1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone?
(3-methyl-1-phenylpyrazol-4-yl)-[2-(1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone has a molecular weight of 321.38 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 (3-methyl-1-phenylpyrazol-4-yl)-[2-(1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 138035896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).