[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone

C19H21N5O — CID 95605676

IUPAC[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone
SMILESCc1cnn(C[C@@H]2CCCN2C(=O)c2ccccc2-n2cccn2)c1
InChIInChI=1S/C19H21N5O/c1-15-12-21-22(13-15)14-16-6-4-10-23(16)19(25)17-7-2-3-8-18(17)24-11-5-9-20-24/h2-3,5,7-9,11-13,16H,4,6,10,14H2,1H3/t16-/m0/s1
InChIKeyMQDOQMANPKTFLJ-INIZCTEOSA-N
MW335.41 g/mol
LogP2.68
Rot. Bonds4

About [(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone

[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone (PubChem CID 95605676) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is [(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone.

Molecular Properties

Compound Name[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone
PubChem CID95605676
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone
SMILESCc1cnn(C[C@@H]2CCCN2C(=O)c2ccccc2-n2cccn2)c1
InChIInChI=1S/C19H21N5O/c1-15-12-21-22(13-15)14-16-6-4-10-23(16)19(25)17-7-2-3-8-18(17)24-11-5-9-20-24/h2-3,5,7-9,11-13,16H,4,6,10,14H2,1H3/t16-/m0/s1
InChIKeyMQDOQMANPKTFLJ-INIZCTEOSA-N
XLogP2.68
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]methanone
CID 95605825
[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 56779357
[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 95604019
[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 56779403
[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 95605722
8-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-4H-1,4-benzoxazin-3-one
CID 95605838
[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[2-(tetrazol-1-yl)phenyl]methanone
CID 95603647
imidazo[1,2-a]pyridin-2-yl-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 95604014
[(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone
CID 95736225
(5-cyclohexyl-1H-pyrazol-4-yl)-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 95607665
2-indol-1-yl-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone
CID 95350831
2,3-dihydro-1,4-benzodioxin-5-yl-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
CID 95603400

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone?
The IUPAC name of [(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone (CID 95605676) is [(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone.
What is the SMILES notation for [(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone?
The canonical SMILES for [(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone is Cc1cnn(C[C@@H]2CCCN2C(=O)c2ccccc2-n2cccn2)c1.
What is the InChIKey of [(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone?
The InChIKey is MQDOQMANPKTFLJ-INIZCTEOSA-N. The full InChI is InChI=1S/C19H21N5O/c1-15-12-21-22(13-15)14-16-6-4-10-23(16)19(25)17-7-2-3-8-18(17)24-11-5-9-20-24/h2-3,5,7-9,11-13,16H,4,6,10,14H2,1H3/t16-/m0/s1.
What are the key properties of [(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone?
[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone has a molecular weight of 335.41 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone is sourced from PubChem (CID 95605676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).