4-(1-methyl-5-phenylpyrazole-3-carbonyl)-N-pyridin-3-ylpiperazine-1-carboxamide

C21H22N6O2 — CID 164898189

IUPAC4-(1-methyl-5-phenylpyrazole-3-carbonyl)-N-pyridin-3-ylpiperazine-1-carboxamide
SMILESCn1nc(C(=O)N2CCN(C(=O)Nc3cccnc3)CC2)cc1-c1ccccc1
InChIInChI=1S/C21H22N6O2/c1-25-19(16-6-3-2-4-7-16)14-18(24-25)20(28)26-10-12-27(13-11-26)21(29)23-17-8-5-9-22-15-17/h2-9,14-15H,10-13H2,1H3,(H,23,29)
InChIKeyOMLPDNYZPNXYTH-UHFFFAOYSA-N
MW390.45 g/mol
LogP2.47
Rot. Bonds3

About 4-(1-methyl-5-phenylpyrazole-3-carbonyl)-N-pyridin-3-ylpiperazine-1-carboxamide

4-(1-methyl-5-phenylpyrazole-3-carbonyl)-N-pyridin-3-ylpiperazine-1-carboxamide (PubChem CID 164898189) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is 4-(1-methyl-5-phenylpyrazole-3-carbonyl)-N-pyridin-3-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(1-methyl-5-phenylpyrazole-3-carbonyl)-N-pyridin-3-ylpiperazine-1-carboxamide
PubChem CID164898189
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC Name4-(1-methyl-5-phenylpyrazole-3-carbonyl)-N-pyridin-3-ylpiperazine-1-carboxamide
SMILESCn1nc(C(=O)N2CCN(C(=O)Nc3cccnc3)CC2)cc1-c1ccccc1
InChIInChI=1S/C21H22N6O2/c1-25-19(16-6-3-2-4-7-16)14-18(24-25)20(28)26-10-12-27(13-11-26)21(29)23-17-8-5-9-22-15-17/h2-9,14-15H,10-13H2,1H3,(H,23,29)
InChIKeyOMLPDNYZPNXYTH-UHFFFAOYSA-N
XLogP2.47
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-4-(1-methyl-5-phenylpyrazole-3-carbonyl)piperazine-1-carboxamide
CID 164898192
4-methyl-N-pyridin-3-ylpiperazine-1-carboxamide
CID 3370606
4-formyl-N-pyridin-3-ylpiperazine-1-carboxamide
CID 110706402
4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-pyridin-3-ylpiperazine-1-carboxamide
CID 11552354
4-pyridin-2-yl-N-pyridin-3-ylpiperazine-1-carboxamide
CID 18101774
[5-(3-methoxyphenyl)-1-methylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 110336353
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(1-methyl-5-phenylpyrazol-3-yl)methanone
CID 74230503
4-[5-(4-chlorophenyl)-1-methylpyrazole-3-carbonyl]piperazine-1-carbaldehyde
CID 110336238
N-phenyl-4-[(2-pyridin-3-ylphenyl)methyl]piperazine-1-carboxamide
CID 134802336
4-benzyl-N-(1-methyl-5-phenylpyrazol-3-yl)piperazine-1-carboxamide
CID 108812975
[5-(4-chlorophenyl)-1-methylpyrazol-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110336253
N-(4-acetamidophenyl)-1-methyl-5-phenylpyrazole-3-carboxamide
CID 110336197

Frequently Asked Questions

What is the IUPAC name of 4-(1-methyl-5-phenylpyrazole-3-carbonyl)-N-pyridin-3-ylpiperazine-1-carboxamide?
The IUPAC name of 4-(1-methyl-5-phenylpyrazole-3-carbonyl)-N-pyridin-3-ylpiperazine-1-carboxamide (CID 164898189) is 4-(1-methyl-5-phenylpyrazole-3-carbonyl)-N-pyridin-3-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(1-methyl-5-phenylpyrazole-3-carbonyl)-N-pyridin-3-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-(1-methyl-5-phenylpyrazole-3-carbonyl)-N-pyridin-3-ylpiperazine-1-carboxamide is Cn1nc(C(=O)N2CCN(C(=O)Nc3cccnc3)CC2)cc1-c1ccccc1.
What is the InChIKey of 4-(1-methyl-5-phenylpyrazole-3-carbonyl)-N-pyridin-3-ylpiperazine-1-carboxamide?
The InChIKey is OMLPDNYZPNXYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2/c1-25-19(16-6-3-2-4-7-16)14-18(24-25)20(28)26-10-12-27(13-11-26)21(29)23-17-8-5-9-22-15-17/h2-9,14-15H,10-13H2,1H3,(H,23,29).
What are the key properties of 4-(1-methyl-5-phenylpyrazole-3-carbonyl)-N-pyridin-3-ylpiperazine-1-carboxamide?
4-(1-methyl-5-phenylpyrazole-3-carbonyl)-N-pyridin-3-ylpiperazine-1-carboxamide has a molecular weight of 390.45 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methyl-5-phenylpyrazole-3-carbonyl)-N-pyridin-3-ylpiperazine-1-carboxamide is sourced from PubChem (CID 164898189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).