[4-(5-methylpyrazol-1-yl)phenyl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone

C19H21N5O — CID 95309281

IUPAC[4-(5-methylpyrazol-1-yl)phenyl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
SMILESCc1ccnn1-c1ccc(C(=O)N2CCC[C@@H]2c2cnn(C)c2)cc1
InChIInChI=1S/C19H21N5O/c1-14-9-10-20-24(14)17-7-5-15(6-8-17)19(25)23-11-3-4-18(23)16-12-21-22(2)13-16/h5-10,12-13,18H,3-4,11H2,1-2H3/t18-/m1/s1
InChIKeyKYOQYDUKNQYCEX-GOSISDBHSA-N
MW335.41 g/mol
LogP2.89
Rot. Bonds3

About [4-(5-methylpyrazol-1-yl)phenyl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone

[4-(5-methylpyrazol-1-yl)phenyl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone (PubChem CID 95309281) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is [4-(5-methylpyrazol-1-yl)phenyl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(5-methylpyrazol-1-yl)phenyl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
PubChem CID95309281
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name[4-(5-methylpyrazol-1-yl)phenyl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
SMILESCc1ccnn1-c1ccc(C(=O)N2CCC[C@@H]2c2cnn(C)c2)cc1
InChIInChI=1S/C19H21N5O/c1-14-9-10-20-24(14)17-7-5-15(6-8-17)19(25)23-11-3-4-18(23)16-12-21-22(2)13-16/h5-10,12-13,18H,3-4,11H2,1-2H3/t18-/m1/s1
InChIKeyKYOQYDUKNQYCEX-GOSISDBHSA-N
XLogP2.89
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(3,5-dimethylpyrazol-1-yl)phenyl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95308670
N-[[4-[2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]phenyl]methyl]acetamide
CID 56825059
N-[[4-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]phenyl]methyl]acetamide
CID 95569536
[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 56801188
[4-(methoxymethyl)phenyl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95322352
[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
CID 95977725
(5-bromofuran-3-yl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 56824993
[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone
CID 56825013
1H-indol-6-yl-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95340715
(1,5-dimethylpyrazol-3-yl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 86888139
[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 95336725
(2-chloro-4-pyridinyl)-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone
CID 154803735

Frequently Asked Questions

What is the IUPAC name of [4-(5-methylpyrazol-1-yl)phenyl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [4-(5-methylpyrazol-1-yl)phenyl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone (CID 95309281) is [4-(5-methylpyrazol-1-yl)phenyl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [4-(5-methylpyrazol-1-yl)phenyl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [4-(5-methylpyrazol-1-yl)phenyl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone is Cc1ccnn1-c1ccc(C(=O)N2CCC[C@@H]2c2cnn(C)c2)cc1.
What is the InChIKey of [4-(5-methylpyrazol-1-yl)phenyl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
The InChIKey is KYOQYDUKNQYCEX-GOSISDBHSA-N. The full InChI is InChI=1S/C19H21N5O/c1-14-9-10-20-24(14)17-7-5-15(6-8-17)19(25)23-11-3-4-18(23)16-12-21-22(2)13-16/h5-10,12-13,18H,3-4,11H2,1-2H3/t18-/m1/s1.
What are the key properties of [4-(5-methylpyrazol-1-yl)phenyl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
[4-(5-methylpyrazol-1-yl)phenyl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone has a molecular weight of 335.41 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-methylpyrazol-1-yl)phenyl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95309281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).