N-(cyclobutylmethyl)-N-(1H-indol-4-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

C19H19F3N4O — CID 73212936

IUPACN-(cyclobutylmethyl)-N-(1H-indol-4-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESO=C(c1cc(C(F)(F)F)[nH]n1)N(Cc1cccc2[nH]ccc12)CC1CCC1
InChIInChI=1S/C19H19F3N4O/c20-19(21,22)17-9-16(24-25-17)18(27)26(10-12-3-1-4-12)11-13-5-2-6-15-14(13)7-8-23-15/h2,5-9,12,23H,1,3-4,10-11H2,(H,24,25)
InChIKeyNQUZMHMIMQODLB-UHFFFAOYSA-N
MW376.38 g/mol
LogP4.35
Rot. Bonds5

About N-(cyclobutylmethyl)-N-(1H-indol-4-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

N-(cyclobutylmethyl)-N-(1H-indol-4-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (PubChem CID 73212936) has the molecular formula C19H19F3N4O and a molecular weight of 376.38 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-N-(1H-indol-4-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-N-(1H-indol-4-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
PubChem CID73212936
Molecular FormulaC19H19F3N4O
Molecular Weight376.38 g/mol
Exact Mass376.15
IUPAC NameN-(cyclobutylmethyl)-N-(1H-indol-4-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESO=C(c1cc(C(F)(F)F)[nH]n1)N(Cc1cccc2[nH]ccc12)CC1CCC1
InChIInChI=1S/C19H19F3N4O/c20-19(21,22)17-9-16(24-25-17)18(27)26(10-12-3-1-4-12)11-13-5-2-6-15-14(13)7-8-23-15/h2,5-9,12,23H,1,3-4,10-11H2,(H,24,25)
InChIKeyNQUZMHMIMQODLB-UHFFFAOYSA-N
XLogP4.35
TPSA64.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(cyclobutylmethyl)-N-(1H-indol-4-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-N-(1H-indol-4-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(cyclobutylmethyl)-N-(1H-indol-4-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (CID 73212936) is N-(cyclobutylmethyl)-N-(1H-indol-4-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(cyclobutylmethyl)-N-(1H-indol-4-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(cyclobutylmethyl)-N-(1H-indol-4-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is O=C(c1cc(C(F)(F)F)[nH]n1)N(Cc1cccc2[nH]ccc12)CC1CCC1.
What is the InChIKey of N-(cyclobutylmethyl)-N-(1H-indol-4-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is NQUZMHMIMQODLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O/c20-19(21,22)17-9-16(24-25-17)18(27)26(10-12-3-1-4-12)11-13-5-2-6-15-14(13)7-8-23-15/h2,5-9,12,23H,1,3-4,10-11H2,(H,24,25).
What are the key properties of N-(cyclobutylmethyl)-N-(1H-indol-4-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
N-(cyclobutylmethyl)-N-(1H-indol-4-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 376.38 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-N-(1H-indol-4-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 73212936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).