N-[(5-chloro-1H-indol-2-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

C15H12ClF3N4O — CID 1000198

IUPACN-[(5-chloro-1H-indol-2-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)cc1C(=O)NCc1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C15H12ClF3N4O/c1-23-12(6-13(22-23)15(17,18)19)14(24)20-7-10-5-8-4-9(16)2-3-11(8)21-10/h2-6,21H,7H2,1H3,(H,20,24)
InChIKeySLBKFXBZSNNLDP-UHFFFAOYSA-N
MW356.74 g/mol
LogP3.50
Rot. Bonds3

About N-[(5-chloro-1H-indol-2-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

N-[(5-chloro-1H-indol-2-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 1000198) has the molecular formula C15H12ClF3N4O and a molecular weight of 356.74 g/mol. Its IUPAC name is N-[(5-chloro-1H-indol-2-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(5-chloro-1H-indol-2-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID1000198
Molecular FormulaC15H12ClF3N4O
Molecular Weight356.74 g/mol
Exact Mass356.07
IUPAC NameN-[(5-chloro-1H-indol-2-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)cc1C(=O)NCc1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C15H12ClF3N4O/c1-23-12(6-13(22-23)15(17,18)19)14(24)20-7-10-5-8-4-9(16)2-3-11(8)21-10/h2-6,21H,7H2,1H3,(H,20,24)
InChIKeySLBKFXBZSNNLDP-UHFFFAOYSA-N
XLogP3.50
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.74
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1H-indol-2-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of N-[(5-chloro-1H-indol-2-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 1000198) is N-[(5-chloro-1H-indol-2-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-[(5-chloro-1H-indol-2-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for N-[(5-chloro-1H-indol-2-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is Cn1nc(C(F)(F)F)cc1C(=O)NCc1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of N-[(5-chloro-1H-indol-2-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is SLBKFXBZSNNLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3N4O/c1-23-12(6-13(22-23)15(17,18)19)14(24)20-7-10-5-8-4-9(16)2-3-11(8)21-10/h2-6,21H,7H2,1H3,(H,20,24).
What are the key properties of N-[(5-chloro-1H-indol-2-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
N-[(5-chloro-1H-indol-2-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 356.74 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1H-indol-2-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 1000198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).