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

C20H19N5O2 — CID 19513939

IUPACN-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
SMILESCc1cc(C)n(Cc2cccc(NC(=O)c3cc(-c4ccco4)[nH]n3)c2)n1
InChIInChI=1S/C20H19N5O2/c1-13-9-14(2)25(24-13)12-15-5-3-6-16(10-15)21-20(26)18-11-17(22-23-18)19-7-4-8-27-19/h3-11H,12H2,1-2H3,(H,21,26)(H,22,23)
InChIKeyIFWXPBLVVSWCHU-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.78
Rot. Bonds5

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

N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 19513939) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
PubChem CID19513939
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC NameN-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
SMILESCc1cc(C)n(Cc2cccc(NC(=O)c3cc(-c4ccco4)[nH]n3)c2)n1
InChIInChI=1S/C20H19N5O2/c1-13-9-14(2)25(24-13)12-15-5-3-6-16(10-15)21-20(26)18-11-17(22-23-18)19-7-4-8-27-19/h3-11H,12H2,1-2H3,(H,21,26)(H,22,23)
InChIKeyIFWXPBLVVSWCHU-UHFFFAOYSA-N
XLogP3.78
TPSA88.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 146122551
N-(2-benzyl-5-methylpyrazol-3-yl)-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 35535221
5-(furan-2-yl)-N-(3-methylphenyl)-1H-pyrazole-3-carboxamide
CID 47156334
N-[3-(2-ethoxyethoxymethyl)phenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 87036692
5-(furan-2-yl)-N-(3-methoxyphenyl)-1H-pyrazole-3-carboxamide
CID 19513850
N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 19514013
N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 19514551
N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,5-dimethylpyrazole-4-carboxamide
CID 19474017
4-bromo-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,5-dimethylpyrazole-3-carboxamide
CID 19266221
trans-(1S,2S)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-2-methylcyclopropane-1-carboxamide
CID 95617250
N'-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-N-ethylbutanediamide
CID 146087761
N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 19514082

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide (CID 19513939) is N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide is Cc1cc(C)n(Cc2cccc(NC(=O)c3cc(-c4ccco4)[nH]n3)c2)n1.
What is the InChIKey of N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is IFWXPBLVVSWCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-13-9-14(2)25(24-13)12-15-5-3-6-16(10-15)21-20(26)18-11-17(22-23-18)19-7-4-8-27-19/h3-11H,12H2,1-2H3,(H,21,26)(H,22,23).
What are the key properties of N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 361.41 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 19513939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).