2,5-dimethyl-N-[4-(1H-pyrazol-5-yl)phenyl]pyrazole-3-carboxamide

C15H15N5O — CID 61069082

IUPAC2,5-dimethyl-N-[4-(1H-pyrazol-5-yl)phenyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(-c3ccn[nH]3)cc2)n(C)n1
InChIInChI=1S/C15H15N5O/c1-10-9-14(20(2)19-10)15(21)17-12-5-3-11(4-6-12)13-7-8-16-18-13/h3-9H,1-2H3,(H,16,18)(H,17,21)
InChIKeyMGCOONMGSYICJK-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.37
Rot. Bonds3

About 2,5-dimethyl-N-[4-(1H-pyrazol-5-yl)phenyl]pyrazole-3-carboxamide

2,5-dimethyl-N-[4-(1H-pyrazol-5-yl)phenyl]pyrazole-3-carboxamide (PubChem CID 61069082) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 2,5-dimethyl-N-[4-(1H-pyrazol-5-yl)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[4-(1H-pyrazol-5-yl)phenyl]pyrazole-3-carboxamide
PubChem CID61069082
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name2,5-dimethyl-N-[4-(1H-pyrazol-5-yl)phenyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(-c3ccn[nH]3)cc2)n(C)n1
InChIInChI=1S/C15H15N5O/c1-10-9-14(20(2)19-10)15(21)17-12-5-3-11(4-6-12)13-7-8-16-18-13/h3-9H,1-2H3,(H,16,18)(H,17,21)
InChIKeyMGCOONMGSYICJK-UHFFFAOYSA-N
XLogP2.37
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[4-(1H-pyrazol-5-yl)phenyl]pyrazole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[4-(1H-pyrazol-5-yl)phenyl]pyrazole-3-carboxamide (CID 61069082) is 2,5-dimethyl-N-[4-(1H-pyrazol-5-yl)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[4-(1H-pyrazol-5-yl)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[4-(1H-pyrazol-5-yl)phenyl]pyrazole-3-carboxamide is Cc1cc(C(=O)Nc2ccc(-c3ccn[nH]3)cc2)n(C)n1.
What is the InChIKey of 2,5-dimethyl-N-[4-(1H-pyrazol-5-yl)phenyl]pyrazole-3-carboxamide?
The InChIKey is MGCOONMGSYICJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-10-9-14(20(2)19-10)15(21)17-12-5-3-11(4-6-12)13-7-8-16-18-13/h3-9H,1-2H3,(H,16,18)(H,17,21).
What are the key properties of 2,5-dimethyl-N-[4-(1H-pyrazol-5-yl)phenyl]pyrazole-3-carboxamide?
2,5-dimethyl-N-[4-(1H-pyrazol-5-yl)phenyl]pyrazole-3-carboxamide has a molecular weight of 281.32 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[4-(1H-pyrazol-5-yl)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 61069082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).