4-methyl-2-phenyl-N-(2-pyrazol-1-yl-3-pyridinyl)piperazine-1-carboxamide

C20H22N6O — CID 47041232

IUPAC4-methyl-2-phenyl-N-(2-pyrazol-1-yl-3-pyridinyl)piperazine-1-carboxamide
SMILESCN1CCN(C(=O)Nc2cccnc2-n2cccn2)C(c2ccccc2)C1
InChIInChI=1S/C20H22N6O/c1-24-13-14-25(18(15-24)16-7-3-2-4-8-16)20(27)23-17-9-5-10-21-19(17)26-12-6-11-22-26/h2-12,18H,13-15H2,1H3,(H,23,27)
InChIKeyOCBDKXWZAWZKPA-UHFFFAOYSA-N
MW362.44 g/mol
LogP2.79
Rot. Bonds3

About 4-methyl-2-phenyl-N-(2-pyrazol-1-yl-3-pyridinyl)piperazine-1-carboxamide

4-methyl-2-phenyl-N-(2-pyrazol-1-yl-3-pyridinyl)piperazine-1-carboxamide (PubChem CID 47041232) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is 4-methyl-2-phenyl-N-(2-pyrazol-1-yl-3-pyridinyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-methyl-2-phenyl-N-(2-pyrazol-1-yl-3-pyridinyl)piperazine-1-carboxamide
PubChem CID47041232
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name4-methyl-2-phenyl-N-(2-pyrazol-1-yl-3-pyridinyl)piperazine-1-carboxamide
SMILESCN1CCN(C(=O)Nc2cccnc2-n2cccn2)C(c2ccccc2)C1
InChIInChI=1S/C20H22N6O/c1-24-13-14-25(18(15-24)16-7-3-2-4-8-16)20(27)23-17-9-5-10-21-19(17)26-12-6-11-22-26/h2-12,18H,13-15H2,1H3,(H,23,27)
InChIKeyOCBDKXWZAWZKPA-UHFFFAOYSA-N
XLogP2.79
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phenyl-N-(2-pyrazol-1-yl-3-pyridinyl)piperazine-1-carboxamide?
The IUPAC name of 4-methyl-2-phenyl-N-(2-pyrazol-1-yl-3-pyridinyl)piperazine-1-carboxamide (CID 47041232) is 4-methyl-2-phenyl-N-(2-pyrazol-1-yl-3-pyridinyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-methyl-2-phenyl-N-(2-pyrazol-1-yl-3-pyridinyl)piperazine-1-carboxamide?
The canonical SMILES for 4-methyl-2-phenyl-N-(2-pyrazol-1-yl-3-pyridinyl)piperazine-1-carboxamide is CN1CCN(C(=O)Nc2cccnc2-n2cccn2)C(c2ccccc2)C1.
What is the InChIKey of 4-methyl-2-phenyl-N-(2-pyrazol-1-yl-3-pyridinyl)piperazine-1-carboxamide?
The InChIKey is OCBDKXWZAWZKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c1-24-13-14-25(18(15-24)16-7-3-2-4-8-16)20(27)23-17-9-5-10-21-19(17)26-12-6-11-22-26/h2-12,18H,13-15H2,1H3,(H,23,27).
What are the key properties of 4-methyl-2-phenyl-N-(2-pyrazol-1-yl-3-pyridinyl)piperazine-1-carboxamide?
4-methyl-2-phenyl-N-(2-pyrazol-1-yl-3-pyridinyl)piperazine-1-carboxamide has a molecular weight of 362.44 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenyl-N-(2-pyrazol-1-yl-3-pyridinyl)piperazine-1-carboxamide is sourced from PubChem (CID 47041232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).