1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide

C20H16FN3O2S — CID 32601711

IUPAC1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide
SMILESO=C(c1ccn(-c2ccc(F)cc2)n1)N(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C20H16FN3O2S/c21-15-5-7-16(8-6-15)24-10-9-19(22-24)20(25)23(13-17-3-1-11-26-17)14-18-4-2-12-27-18/h1-12H,13-14H2
InChIKeyVUQFWVVLAGABJF-UHFFFAOYSA-N
MW381.43 g/mol
LogP4.51
Rot. Bonds6

About 1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide

1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide (PubChem CID 32601711) has the molecular formula C20H16FN3O2S and a molecular weight of 381.43 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide
PubChem CID32601711
Molecular FormulaC20H16FN3O2S
Molecular Weight381.43 g/mol
Exact Mass381.09
IUPAC Name1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide
SMILESO=C(c1ccn(-c2ccc(F)cc2)n1)N(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C20H16FN3O2S/c21-15-5-7-16(8-6-15)24-10-9-19(22-24)20(25)23(13-17-3-1-11-26-17)14-18-4-2-12-27-18/h1-12H,13-14H2
InChIKeyVUQFWVVLAGABJF-UHFFFAOYSA-N
XLogP4.51
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(4-ethylphenyl)-1-phenyl-1H-pyrazol-4-yl]-3-(2-furylmethyl)-1,3-thiazolidin-4-one
CID 2874571
2-(1,3-Diphenyl-4-pyrazolyl)-3-(2-furanylmethyl)-4-thiazolidinone
CID 2998807
N-(3,5-difluoro-4-pyridinyl)-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide
CID 68062382
N-(3-fluoro-4-pyridinyl)-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide
CID 68062384
N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 645052
N-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)furan-2-carboxamide
CID 2110833
N-(furan-2-ylmethyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 32158496
1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 2449699
(2-furylmethyl)[(5-methyl-1-propyl-1H-pyrazol-4-yl)methyl](3-thienylmethyl)amine
CID 50983604
2-((4-fluorophenyl)thio)-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)acetamide
CID 52906793
1-(1-allyl-3-methyl-1H-pyrazol-4-yl)-N-(2-furylmethyl)-N-(2-thienylmethyl)methanamine
CID 46995428
N-{(1Z)-3-[(furan-2-ylmethyl)amino]-3-oxo-1-[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]prop-1-en-2-yl}benzamide
CID 5733807

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide (CID 32601711) is 1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide is O=C(c1ccn(-c2ccc(F)cc2)n1)N(Cc1ccco1)Cc1cccs1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide?
The InChIKey is VUQFWVVLAGABJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O2S/c21-15-5-7-16(8-6-15)24-10-9-19(22-24)20(25)23(13-17-3-1-11-26-17)14-18-4-2-12-27-18/h1-12H,13-14H2.
What are the key properties of 1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide?
1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide has a molecular weight of 381.43 g/mol, XLogP of 4.51, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 32601711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).