(1,5-dimethylpyrazol-4-yl)-[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone

C19H22N6O — CID 95797476

IUPAC(1,5-dimethylpyrazol-4-yl)-[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCc1c(C(=O)N2CCC(c3[nH]ncc3-c3ccncc3)CC2)cnn1C
InChIInChI=1S/C19H22N6O/c1-13-16(12-22-24(13)2)19(26)25-9-5-15(6-10-25)18-17(11-21-23-18)14-3-7-20-8-4-14/h3-4,7-8,11-12,15H,5-6,9-10H2,1-2H3,(H,21,23)
InChIKeyAFSGBGAAIRWICU-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.53
Rot. Bonds3

About (1,5-dimethylpyrazol-4-yl)-[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone

(1,5-dimethylpyrazol-4-yl)-[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 95797476) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is (1,5-dimethylpyrazol-4-yl)-[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1,5-dimethylpyrazol-4-yl)-[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
PubChem CID95797476
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name(1,5-dimethylpyrazol-4-yl)-[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCc1c(C(=O)N2CCC(c3[nH]ncc3-c3ccncc3)CC2)cnn1C
InChIInChI=1S/C19H22N6O/c1-13-16(12-22-24(13)2)19(26)25-9-5-15(6-10-25)18-17(11-21-23-18)14-3-7-20-8-4-14/h3-4,7-8,11-12,15H,5-6,9-10H2,1-2H3,(H,21,23)
InChIKeyAFSGBGAAIRWICU-UHFFFAOYSA-N
XLogP2.53
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1,5-dimethylpyrazol-4-yl)-[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (1,5-dimethylpyrazol-4-yl)-[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone (CID 95797476) is (1,5-dimethylpyrazol-4-yl)-[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (1,5-dimethylpyrazol-4-yl)-[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (1,5-dimethylpyrazol-4-yl)-[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone is Cc1c(C(=O)N2CCC(c3[nH]ncc3-c3ccncc3)CC2)cnn1C.
What is the InChIKey of (1,5-dimethylpyrazol-4-yl)-[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is AFSGBGAAIRWICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-13-16(12-22-24(13)2)19(26)25-9-5-15(6-10-25)18-17(11-21-23-18)14-3-7-20-8-4-14/h3-4,7-8,11-12,15H,5-6,9-10H2,1-2H3,(H,21,23).
What are the key properties of (1,5-dimethylpyrazol-4-yl)-[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
(1,5-dimethylpyrazol-4-yl)-[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 350.43 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethylpyrazol-4-yl)-[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 95797476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).