N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide

C24H24FN5O2 — CID 86266458

IUPACN-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide
SMILESCn1nc(-c2ccc(F)cc2)cc1C(=O)N(Cc1cc(C2CC2)n(C)n1)Cc1ccco1
InChIInChI=1S/C24H24FN5O2/c1-28-22(17-5-6-17)12-19(26-28)14-30(15-20-4-3-11-32-20)24(31)23-13-21(27-29(23)2)16-7-9-18(25)10-8-16/h3-4,7-13,17H,5-6,14-15H2,1-2H3
InChIKeyGWAQTFFZXNWHEJ-UHFFFAOYSA-N
MW433.49 g/mol
LogP4.27
Rot. Bonds7

About N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide

N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide (PubChem CID 86266458) has the molecular formula C24H24FN5O2 and a molecular weight of 433.49 g/mol. Its IUPAC name is N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide
PubChem CID86266458
Molecular FormulaC24H24FN5O2
Molecular Weight433.49 g/mol
Exact Mass433.19
IUPAC NameN-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide
SMILESCn1nc(-c2ccc(F)cc2)cc1C(=O)N(Cc1cc(C2CC2)n(C)n1)Cc1ccco1
InChIInChI=1S/C24H24FN5O2/c1-28-22(17-5-6-17)12-19(26-28)14-30(15-20-4-3-11-32-20)24(31)23-13-21(27-29(23)2)16-7-9-18(25)10-8-16/h3-4,7-13,17H,5-6,14-15H2,1-2H3
InChIKeyGWAQTFFZXNWHEJ-UHFFFAOYSA-N
XLogP4.27
TPSA69.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide (CID 86266458) is N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide is Cn1nc(-c2ccc(F)cc2)cc1C(=O)N(Cc1cc(C2CC2)n(C)n1)Cc1ccco1.
What is the InChIKey of N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide?
The InChIKey is GWAQTFFZXNWHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O2/c1-28-22(17-5-6-17)12-19(26-28)14-30(15-20-4-3-11-32-20)24(31)23-13-21(27-29(23)2)16-7-9-18(25)10-8-16/h3-4,7-13,17H,5-6,14-15H2,1-2H3.
What are the key properties of N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide?
N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide has a molecular weight of 433.49 g/mol, XLogP of 4.27, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 86266458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).