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

C20H19N5O2 — CID 146123246

IUPACN-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
SMILESCc1cc(C)n(-c2ccc(NC(=O)c3cc(-c4ccc(C)o4)[nH]n3)cc2)n1
InChIInChI=1S/C20H19N5O2/c1-12-10-13(2)25(24-12)16-7-5-15(6-8-16)21-20(26)18-11-17(22-23-18)19-9-4-14(3)27-19/h4-11H,1-3H3,(H,21,26)(H,22,23)
InChIKeyRSEBNLUXULUPOP-UHFFFAOYSA-N
MW361.41 g/mol
LogP4.03
Rot. Bonds4

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

N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 146123246) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
PubChem CID146123246
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC NameN-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
SMILESCc1cc(C)n(-c2ccc(NC(=O)c3cc(-c4ccc(C)o4)[nH]n3)cc2)n1
InChIInChI=1S/C20H19N5O2/c1-12-10-13(2)25(24-12)16-7-5-15(6-8-16)21-20(26)18-11-17(22-23-18)19-9-4-14(3)27-19/h4-11H,1-3H3,(H,21,26)(H,22,23)
InChIKeyRSEBNLUXULUPOP-UHFFFAOYSA-N
XLogP4.03
TPSA88.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide (CID 146123246) is N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide is Cc1cc(C)n(-c2ccc(NC(=O)c3cc(-c4ccc(C)o4)[nH]n3)cc2)n1.
What is the InChIKey of N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is RSEBNLUXULUPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-12-10-13(2)25(24-12)16-7-5-15(6-8-16)21-20(26)18-11-17(22-23-18)19-9-4-14(3)27-19/h4-11H,1-3H3,(H,21,26)(H,22,23).
What are the key properties of N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide?
N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 361.41 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 146123246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).