N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide

C22H20FN3O3 — CID 70742905

IUPACN-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCCC(c3ccc(F)cc3)c3ccco3)n[nH]2)o1
InChIInChI=1S/C22H20FN3O3/c1-14-4-9-21(29-14)18-13-19(26-25-18)22(27)24-11-10-17(20-3-2-12-28-20)15-5-7-16(23)8-6-15/h2-9,12-13,17H,10-11H2,1H3,(H,24,27)(H,25,26)
InChIKeyLWWPRNYOGHKZMU-UHFFFAOYSA-N
MW393.42 g/mol
LogP4.66
Rot. Bonds7

About N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide

N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 70742905) has the molecular formula C22H20FN3O3 and a molecular weight of 393.42 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
PubChem CID70742905
Molecular FormulaC22H20FN3O3
Molecular Weight393.42 g/mol
Exact Mass393.15
IUPAC NameN-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCCC(c3ccc(F)cc3)c3ccco3)n[nH]2)o1
InChIInChI=1S/C22H20FN3O3/c1-14-4-9-21(29-14)18-13-19(26-25-18)22(27)24-11-10-17(20-3-2-12-28-20)15-5-7-16(23)8-6-15/h2-9,12-13,17H,10-11H2,1H3,(H,24,27)(H,25,26)
InChIKeyLWWPRNYOGHKZMU-UHFFFAOYSA-N
XLogP4.66
TPSA84.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-6-methyl-4-oxopyran-2-carboxamide
CID 131924597
5-(difluoromethyl)-N-[(3S)-3-(furan-2-yl)-3-phenylpropyl]-1H-pyrazole-3-carboxamide
CID 126449599
5-(difluoromethyl)-N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]-1H-pyrazole-3-carboxamide
CID 126449598
5-(5-methylfuran-2-yl)-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide
CID 112829139
N-(2-aminoethyl)-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide;hydrochloride
CID 119385488
N-[2-(3-fluorophenoxy)ethyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 112829300
N-[3-(methylamino)propyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide;hydrochloride
CID 119434158
N-(3-aminobutyl)-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 119498062
N-[(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 7643235
N-[(3R)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 7643237
N-(cyclopropylmethyl)-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 166187750
5-(5-methylfuran-2-yl)-N-(2-propylsulfanylethyl)-1H-pyrazole-3-carboxamide
CID 70788324

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide (CID 70742905) is N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)NCCC(c3ccc(F)cc3)c3ccco3)n[nH]2)o1.
What is the InChIKey of N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is LWWPRNYOGHKZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O3/c1-14-4-9-21(29-14)18-13-19(26-25-18)22(27)24-11-10-17(20-3-2-12-28-20)15-5-7-16(23)8-6-15/h2-9,12-13,17H,10-11H2,1H3,(H,24,27)(H,25,26).
What are the key properties of N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide?
N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 393.42 g/mol, XLogP of 4.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 70742905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).