N-(cyclobutylmethyl)-N-(2,3-dihydro-1H-indol-4-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

C19H21F3N4O — CID 73212937

IUPACN-(cyclobutylmethyl)-N-(2,3-dihydro-1H-indol-4-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESO=C(c1cc(C(F)(F)F)[nH]n1)N(Cc1cccc2c1CCN2)CC1CCC1
InChIInChI=1S/C19H21F3N4O/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/h2,5-6,9,12,23H,1,3-4,7-8,10-11H2,(H,24,25)
InChIKeyHNCJMRLHXBCEGI-UHFFFAOYSA-N
MW378.40 g/mol
LogP3.84
Rot. Bonds5

About N-(cyclobutylmethyl)-N-(2,3-dihydro-1H-indol-4-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

N-(cyclobutylmethyl)-N-(2,3-dihydro-1H-indol-4-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (PubChem CID 73212937) has the molecular formula C19H21F3N4O and a molecular weight of 378.40 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-N-(2,3-dihydro-1H-indol-4-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-N-(2,3-dihydro-1H-indol-4-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
PubChem CID73212937
Molecular FormulaC19H21F3N4O
Molecular Weight378.40 g/mol
Exact Mass378.17
IUPAC NameN-(cyclobutylmethyl)-N-(2,3-dihydro-1H-indol-4-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESO=C(c1cc(C(F)(F)F)[nH]n1)N(Cc1cccc2c1CCN2)CC1CCC1
InChIInChI=1S/C19H21F3N4O/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/h2,5-6,9,12,23H,1,3-4,7-8,10-11H2,(H,24,25)
InChIKeyHNCJMRLHXBCEGI-UHFFFAOYSA-N
XLogP3.84
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-N-(2,3-dihydro-1H-indol-4-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(cyclobutylmethyl)-N-(2,3-dihydro-1H-indol-4-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (CID 73212937) is N-(cyclobutylmethyl)-N-(2,3-dihydro-1H-indol-4-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(cyclobutylmethyl)-N-(2,3-dihydro-1H-indol-4-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(cyclobutylmethyl)-N-(2,3-dihydro-1H-indol-4-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is O=C(c1cc(C(F)(F)F)[nH]n1)N(Cc1cccc2c1CCN2)CC1CCC1.
What is the InChIKey of N-(cyclobutylmethyl)-N-(2,3-dihydro-1H-indol-4-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is HNCJMRLHXBCEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O/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/h2,5-6,9,12,23H,1,3-4,7-8,10-11H2,(H,24,25).
What are the key properties of N-(cyclobutylmethyl)-N-(2,3-dihydro-1H-indol-4-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
N-(cyclobutylmethyl)-N-(2,3-dihydro-1H-indol-4-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 378.40 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-N-(2,3-dihydro-1H-indol-4-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 73212937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).