[(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]-(6-pyrazol-1-yl-2-pyridinyl)methanone

C18H20N6O — CID 97249417

IUPAC[(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]-(6-pyrazol-1-yl-2-pyridinyl)methanone
SMILESCc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)c1cccc(-n2cccn2)n1
InChIInChI=1S/C18H20N6O/c1-12-17(13(2)22-21-12)15-7-4-10-23(15)18(25)14-6-3-8-16(20-14)24-11-5-9-19-24/h3,5-6,8-9,11,15H,4,7,10H2,1-2H3,(H,21,22)/t15-/m0/s1
InChIKeyZMANTPRCYLPHKX-HNNXBMFYSA-N
MW336.40 g/mol
LogP2.58
Rot. Bonds3

About [(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]-(6-pyrazol-1-yl-2-pyridinyl)methanone

[(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]-(6-pyrazol-1-yl-2-pyridinyl)methanone (PubChem CID 97249417) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is [(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]-(6-pyrazol-1-yl-2-pyridinyl)methanone.

Molecular Properties

Compound Name[(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]-(6-pyrazol-1-yl-2-pyridinyl)methanone
PubChem CID97249417
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name[(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]-(6-pyrazol-1-yl-2-pyridinyl)methanone
SMILESCc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)c1cccc(-n2cccn2)n1
InChIInChI=1S/C18H20N6O/c1-12-17(13(2)22-21-12)15-7-4-10-23(15)18(25)14-6-3-8-16(20-14)24-11-5-9-19-24/h3,5-6,8-9,11,15H,4,7,10H2,1-2H3,(H,21,22)/t15-/m0/s1
InChIKeyZMANTPRCYLPHKX-HNNXBMFYSA-N
XLogP2.58
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]-(6-pyrazol-1-yl-2-pyridinyl)methanone?
The IUPAC name of [(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]-(6-pyrazol-1-yl-2-pyridinyl)methanone (CID 97249417) is [(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]-(6-pyrazol-1-yl-2-pyridinyl)methanone.
What is the SMILES notation for [(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]-(6-pyrazol-1-yl-2-pyridinyl)methanone?
The canonical SMILES for [(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]-(6-pyrazol-1-yl-2-pyridinyl)methanone is Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)c1cccc(-n2cccn2)n1.
What is the InChIKey of [(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]-(6-pyrazol-1-yl-2-pyridinyl)methanone?
The InChIKey is ZMANTPRCYLPHKX-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-12-17(13(2)22-21-12)15-7-4-10-23(15)18(25)14-6-3-8-16(20-14)24-11-5-9-19-24/h3,5-6,8-9,11,15H,4,7,10H2,1-2H3,(H,21,22)/t15-/m0/s1.
What are the key properties of [(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]-(6-pyrazol-1-yl-2-pyridinyl)methanone?
[(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]-(6-pyrazol-1-yl-2-pyridinyl)methanone has a molecular weight of 336.40 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]-(6-pyrazol-1-yl-2-pyridinyl)methanone is sourced from PubChem (CID 97249417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).