N-cyclopropyl-3-methyl-4-[6-(trifluoromethyl)-1H-indazol-3-yl]-1H-pyrrole-2-carboxamide

C17H15F3N4O — CID 164623509

IUPACN-cyclopropyl-3-methyl-4-[6-(trifluoromethyl)-1H-indazol-3-yl]-1H-pyrrole-2-carboxamide
SMILESCc1c(-c2n[nH]c3cc(C(F)(F)F)ccc23)c[nH]c1C(=O)NC1CC1
InChIInChI=1S/C17H15F3N4O/c1-8-12(7-21-14(8)16(25)22-10-3-4-10)15-11-5-2-9(17(18,19)20)6-13(11)23-24-15/h2,5-7,10,21H,3-4H2,1H3,(H,22,25)(H,23,24)
InChIKeyAKRMSUBSSNHFPF-UHFFFAOYSA-N
MW348.33 g/mol
LogP3.78
Rot. Bonds3

About N-cyclopropyl-3-methyl-4-[6-(trifluoromethyl)-1H-indazol-3-yl]-1H-pyrrole-2-carboxamide

N-cyclopropyl-3-methyl-4-[6-(trifluoromethyl)-1H-indazol-3-yl]-1H-pyrrole-2-carboxamide (PubChem CID 164623509) has the molecular formula C17H15F3N4O and a molecular weight of 348.33 g/mol. Its IUPAC name is N-cyclopropyl-3-methyl-4-[6-(trifluoromethyl)-1H-indazol-3-yl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-methyl-4-[6-(trifluoromethyl)-1H-indazol-3-yl]-1H-pyrrole-2-carboxamide
PubChem CID164623509
Molecular FormulaC17H15F3N4O
Molecular Weight348.33 g/mol
Exact Mass348.12
IUPAC NameN-cyclopropyl-3-methyl-4-[6-(trifluoromethyl)-1H-indazol-3-yl]-1H-pyrrole-2-carboxamide
SMILESCc1c(-c2n[nH]c3cc(C(F)(F)F)ccc23)c[nH]c1C(=O)NC1CC1
InChIInChI=1S/C17H15F3N4O/c1-8-12(7-21-14(8)16(25)22-10-3-4-10)15-11-5-2-9(17(18,19)20)6-13(11)23-24-15/h2,5-7,10,21H,3-4H2,1H3,(H,22,25)(H,23,24)
InChIKeyAKRMSUBSSNHFPF-UHFFFAOYSA-N
XLogP3.78
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-methyl-4-[6-(trifluoromethyl)-1H-indazol-3-yl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-cyclopropyl-3-methyl-4-[6-(trifluoromethyl)-1H-indazol-3-yl]-1H-pyrrole-2-carboxamide (CID 164623509) is N-cyclopropyl-3-methyl-4-[6-(trifluoromethyl)-1H-indazol-3-yl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-methyl-4-[6-(trifluoromethyl)-1H-indazol-3-yl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-cyclopropyl-3-methyl-4-[6-(trifluoromethyl)-1H-indazol-3-yl]-1H-pyrrole-2-carboxamide is Cc1c(-c2n[nH]c3cc(C(F)(F)F)ccc23)c[nH]c1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-methyl-4-[6-(trifluoromethyl)-1H-indazol-3-yl]-1H-pyrrole-2-carboxamide?
The InChIKey is AKRMSUBSSNHFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O/c1-8-12(7-21-14(8)16(25)22-10-3-4-10)15-11-5-2-9(17(18,19)20)6-13(11)23-24-15/h2,5-7,10,21H,3-4H2,1H3,(H,22,25)(H,23,24).
What are the key properties of N-cyclopropyl-3-methyl-4-[6-(trifluoromethyl)-1H-indazol-3-yl]-1H-pyrrole-2-carboxamide?
N-cyclopropyl-3-methyl-4-[6-(trifluoromethyl)-1H-indazol-3-yl]-1H-pyrrole-2-carboxamide has a molecular weight of 348.33 g/mol, XLogP of 3.78, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-methyl-4-[6-(trifluoromethyl)-1H-indazol-3-yl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 164623509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).