N-cyclopropyl-5-fluoro-1,3-dimethyl-N-[(1-phenylindol-3-yl)methyl]pyrazole-4-carboxamide

C24H23FN4O — CID 118024432

IUPACN-cyclopropyl-5-fluoro-1,3-dimethyl-N-[(1-phenylindol-3-yl)methyl]pyrazole-4-carboxamide
SMILESCc1nn(C)c(F)c1C(=O)N(Cc1cn(-c2ccccc2)c2ccccc12)C1CC1
InChIInChI=1S/C24H23FN4O/c1-16-22(23(25)27(2)26-16)24(30)29(19-12-13-19)15-17-14-28(18-8-4-3-5-9-18)21-11-7-6-10-20(17)21/h3-11,14,19H,12-13,15H2,1-2H3
InChIKeyZSNDHMVXZCIEMS-UHFFFAOYSA-N
MW402.47 g/mol
LogP4.62
Rot. Bonds5

About N-cyclopropyl-5-fluoro-1,3-dimethyl-N-[(1-phenylindol-3-yl)methyl]pyrazole-4-carboxamide

N-cyclopropyl-5-fluoro-1,3-dimethyl-N-[(1-phenylindol-3-yl)methyl]pyrazole-4-carboxamide (PubChem CID 118024432) has the molecular formula C24H23FN4O and a molecular weight of 402.47 g/mol. Its IUPAC name is N-cyclopropyl-5-fluoro-1,3-dimethyl-N-[(1-phenylindol-3-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-fluoro-1,3-dimethyl-N-[(1-phenylindol-3-yl)methyl]pyrazole-4-carboxamide
PubChem CID118024432
Molecular FormulaC24H23FN4O
Molecular Weight402.47 g/mol
Exact Mass402.19
IUPAC NameN-cyclopropyl-5-fluoro-1,3-dimethyl-N-[(1-phenylindol-3-yl)methyl]pyrazole-4-carboxamide
SMILESCc1nn(C)c(F)c1C(=O)N(Cc1cn(-c2ccccc2)c2ccccc12)C1CC1
InChIInChI=1S/C24H23FN4O/c1-16-22(23(25)27(2)26-16)24(30)29(19-12-13-19)15-17-14-28(18-8-4-3-5-9-18)21-11-7-6-10-20(17)21/h3-11,14,19H,12-13,15H2,1-2H3
InChIKeyZSNDHMVXZCIEMS-UHFFFAOYSA-N
XLogP4.62
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-fluoro-1,3-dimethyl-N-[(1-phenylindol-3-yl)methyl]pyrazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-5-fluoro-1,3-dimethyl-N-[(1-phenylindol-3-yl)methyl]pyrazole-4-carboxamide (CID 118024432) is N-cyclopropyl-5-fluoro-1,3-dimethyl-N-[(1-phenylindol-3-yl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-fluoro-1,3-dimethyl-N-[(1-phenylindol-3-yl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-5-fluoro-1,3-dimethyl-N-[(1-phenylindol-3-yl)methyl]pyrazole-4-carboxamide is Cc1nn(C)c(F)c1C(=O)N(Cc1cn(-c2ccccc2)c2ccccc12)C1CC1.
What is the InChIKey of N-cyclopropyl-5-fluoro-1,3-dimethyl-N-[(1-phenylindol-3-yl)methyl]pyrazole-4-carboxamide?
The InChIKey is ZSNDHMVXZCIEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O/c1-16-22(23(25)27(2)26-16)24(30)29(19-12-13-19)15-17-14-28(18-8-4-3-5-9-18)21-11-7-6-10-20(17)21/h3-11,14,19H,12-13,15H2,1-2H3.
What are the key properties of N-cyclopropyl-5-fluoro-1,3-dimethyl-N-[(1-phenylindol-3-yl)methyl]pyrazole-4-carboxamide?
N-cyclopropyl-5-fluoro-1,3-dimethyl-N-[(1-phenylindol-3-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 402.47 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-fluoro-1,3-dimethyl-N-[(1-phenylindol-3-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 118024432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).