N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide

C18H14FN5O2 — CID 146132437

IUPACN-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
SMILESCc1cnn(-c2ccc(NC(=O)c3cc(-c4ccco4)[nH]n3)cc2F)c1
InChIInChI=1S/C18H14FN5O2/c1-11-9-20-24(10-11)16-5-4-12(7-13(16)19)21-18(25)15-8-14(22-23-15)17-3-2-6-26-17/h2-10H,1H3,(H,21,25)(H,22,23)
InChIKeyLYVGANCRKBOWQF-UHFFFAOYSA-N
MW351.34 g/mol
LogP3.56
Rot. Bonds4

About N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide

N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 146132437) has the molecular formula C18H14FN5O2 and a molecular weight of 351.34 g/mol. Its IUPAC name is N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
PubChem CID146132437
Molecular FormulaC18H14FN5O2
Molecular Weight351.34 g/mol
Exact Mass351.11
IUPAC NameN-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
SMILESCc1cnn(-c2ccc(NC(=O)c3cc(-c4ccco4)[nH]n3)cc2F)c1
InChIInChI=1S/C18H14FN5O2/c1-11-9-20-24(10-11)16-5-4-12(7-13(16)19)21-18(25)15-8-14(22-23-15)17-3-2-6-26-17/h2-10H,1H3,(H,21,25)(H,22,23)
InChIKeyLYVGANCRKBOWQF-UHFFFAOYSA-N
XLogP3.56
TPSA88.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.34
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(furan-2-yl)-N-(3-methylphenyl)-1H-pyrazole-3-carboxamide
CID 47156334
5-(furan-2-yl)-N-[4-(1-methylpyrazol-4-yl)phenyl]-1H-pyrazole-3-carboxamide
CID 146153638
1-[2-fluoro-4-(furan-2-yl)phenyl]-4-methylpyrazole
CID 168526099
3-fluoro-N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]pyridine-4-carboxamide
CID 71874249
5-(furan-2-yl)-N-(3-methoxyphenyl)-1H-pyrazole-3-carboxamide
CID 19513850
N-(3-fluoro-4-pyrazol-1-ylphenyl)-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55820141
N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]prop-2-enamide
CID 166408288
5-(furan-2-yl)-N-(2-propan-2-ylindazol-6-yl)-1H-pyrazole-3-carboxamide
CID 146128437
N-(5-carbamoyl-3-fluoro-2-methylphenyl)-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 87045713
N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 146122551
N-[4-(difluoromethoxy)-3-methoxyphenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 19514034
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-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide (CID 146132437) is N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide is Cc1cnn(-c2ccc(NC(=O)c3cc(-c4ccco4)[nH]n3)cc2F)c1.
What is the InChIKey of N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is LYVGANCRKBOWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5O2/c1-11-9-20-24(10-11)16-5-4-12(7-13(16)19)21-18(25)15-8-14(22-23-15)17-3-2-6-26-17/h2-10H,1H3,(H,21,25)(H,22,23).
What are the key properties of N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 351.34 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 146132437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).