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

C20H18FN5OS — CID 56555616

IUPAC1-(4-fluorophenyl)-3,5-dimethyl-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide
SMILESCc1ccc(-c2cc(NC(=O)c3c(C)nn(-c4ccc(F)cc4)c3C)n[nH]2)s1
InChIInChI=1S/C20H18FN5OS/c1-11-4-9-17(28-11)16-10-18(24-23-16)22-20(27)19-12(2)25-26(13(19)3)15-7-5-14(21)6-8-15/h4-10H,1-3H3,(H2,22,23,24,27)
InChIKeyLPOPXXRCRXJMHI-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.64
Rot. Bonds4

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

1-(4-fluorophenyl)-3,5-dimethyl-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide (PubChem CID 56555616) has the molecular formula C20H18FN5OS and a molecular weight of 395.46 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3,5-dimethyl-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3,5-dimethyl-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide
PubChem CID56555616
Molecular FormulaC20H18FN5OS
Molecular Weight395.46 g/mol
Exact Mass395.12
IUPAC Name1-(4-fluorophenyl)-3,5-dimethyl-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide
SMILESCc1ccc(-c2cc(NC(=O)c3c(C)nn(-c4ccc(F)cc4)c3C)n[nH]2)s1
InChIInChI=1S/C20H18FN5OS/c1-11-4-9-17(28-11)16-10-18(24-23-16)22-20(27)19-12(2)25-26(13(19)3)15-7-5-14(21)6-8-15/h4-10H,1-3H3,(H2,22,23,24,27)
InChIKeyLPOPXXRCRXJMHI-UHFFFAOYSA-N
XLogP4.64
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3,5-dimethyl-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-3,5-dimethyl-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide (CID 56555616) is 1-(4-fluorophenyl)-3,5-dimethyl-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-3,5-dimethyl-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-3,5-dimethyl-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide is Cc1ccc(-c2cc(NC(=O)c3c(C)nn(-c4ccc(F)cc4)c3C)n[nH]2)s1.
What is the InChIKey of 1-(4-fluorophenyl)-3,5-dimethyl-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide?
The InChIKey is LPOPXXRCRXJMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5OS/c1-11-4-9-17(28-11)16-10-18(24-23-16)22-20(27)19-12(2)25-26(13(19)3)15-7-5-14(21)6-8-15/h4-10H,1-3H3,(H2,22,23,24,27).
What are the key properties of 1-(4-fluorophenyl)-3,5-dimethyl-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide?
1-(4-fluorophenyl)-3,5-dimethyl-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 4.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3,5-dimethyl-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 56555616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).