2-anilino-N-[(1-phenylpyrazol-4-yl)methyl]pyrimidine-5-carboxamide

C21H18N6O — CID 72851855

IUPAC2-anilino-N-[(1-phenylpyrazol-4-yl)methyl]pyrimidine-5-carboxamide
SMILESO=C(NCc1cnn(-c2ccccc2)c1)c1cnc(Nc2ccccc2)nc1
InChIInChI=1S/C21H18N6O/c28-20(17-13-23-21(24-14-17)26-18-7-3-1-4-8-18)22-11-16-12-25-27(15-16)19-9-5-2-6-10-19/h1-10,12-15H,11H2,(H,22,28)(H,23,24,26)
InChIKeyXEROTBMGOYPCML-UHFFFAOYSA-N
MW370.42 g/mol
LogP3.34
Rot. Bonds6

About 2-anilino-N-[(1-phenylpyrazol-4-yl)methyl]pyrimidine-5-carboxamide

2-anilino-N-[(1-phenylpyrazol-4-yl)methyl]pyrimidine-5-carboxamide (PubChem CID 72851855) has the molecular formula C21H18N6O and a molecular weight of 370.42 g/mol. Its IUPAC name is 2-anilino-N-[(1-phenylpyrazol-4-yl)methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-anilino-N-[(1-phenylpyrazol-4-yl)methyl]pyrimidine-5-carboxamide
PubChem CID72851855
Molecular FormulaC21H18N6O
Molecular Weight370.42 g/mol
Exact Mass370.15
IUPAC Name2-anilino-N-[(1-phenylpyrazol-4-yl)methyl]pyrimidine-5-carboxamide
SMILESO=C(NCc1cnn(-c2ccccc2)c1)c1cnc(Nc2ccccc2)nc1
InChIInChI=1S/C21H18N6O/c28-20(17-13-23-21(24-14-17)26-18-7-3-1-4-8-18)22-11-16-12-25-27(15-16)19-9-5-2-6-10-19/h1-10,12-15H,11H2,(H,22,28)(H,23,24,26)
InChIKeyXEROTBMGOYPCML-UHFFFAOYSA-N
XLogP3.34
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-phenylpyrazol-4-yl)methyl]-4-pyrazol-1-ylbenzamide
CID 17483211
2-N,6-N-bis[(1-phenylpyrazol-4-yl)methyl]pyridine-2,6-dicarboxamide
CID 39058604
2-(4-acetamidoanilino)-N-benzylpyrimidine-5-carboxamide
CID 109255327
2-(2-methoxyethoxy)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 55996337
2-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]triazole-4-carboxamide
CID 134036061
2-anilino-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 109248518
2-anilino-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109256919
N-benzyl-2-(3-bromoanilino)pyrimidine-5-carboxamide
CID 109255341
2-chloro-N-[(1-phenylpyrazol-4-yl)methyl]furan-3-carboxamide
CID 106685695
5-methyl-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 52553185
4-(2-oxopyrrolidin-1-yl)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 17442772
5-chloro-N-[(1-phenylpyrazol-4-yl)methyl]pentanamide
CID 43347095

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[(1-phenylpyrazol-4-yl)methyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-anilino-N-[(1-phenylpyrazol-4-yl)methyl]pyrimidine-5-carboxamide (CID 72851855) is 2-anilino-N-[(1-phenylpyrazol-4-yl)methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-anilino-N-[(1-phenylpyrazol-4-yl)methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-anilino-N-[(1-phenylpyrazol-4-yl)methyl]pyrimidine-5-carboxamide is O=C(NCc1cnn(-c2ccccc2)c1)c1cnc(Nc2ccccc2)nc1.
What is the InChIKey of 2-anilino-N-[(1-phenylpyrazol-4-yl)methyl]pyrimidine-5-carboxamide?
The InChIKey is XEROTBMGOYPCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O/c28-20(17-13-23-21(24-14-17)26-18-7-3-1-4-8-18)22-11-16-12-25-27(15-16)19-9-5-2-6-10-19/h1-10,12-15H,11H2,(H,22,28)(H,23,24,26).
What are the key properties of 2-anilino-N-[(1-phenylpyrazol-4-yl)methyl]pyrimidine-5-carboxamide?
2-anilino-N-[(1-phenylpyrazol-4-yl)methyl]pyrimidine-5-carboxamide has a molecular weight of 370.42 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[(1-phenylpyrazol-4-yl)methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 72851855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).