N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C15H21F3N4O — CID 136565864

IUPACN-[[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESO=C(NCC1CCCN1CC(F)(F)F)c1n[nH]c2c1CCCC2
InChIInChI=1S/C15H21F3N4O/c16-15(17,18)9-22-7-3-4-10(22)8-19-14(23)13-11-5-1-2-6-12(11)20-21-13/h10H,1-9H2,(H,19,23)(H,20,21)
InChIKeyMYCMTDVAEMJVDF-UHFFFAOYSA-N
MW330.35 g/mol
LogP2.05
Rot. Bonds4

About N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 136565864) has the molecular formula C15H21F3N4O and a molecular weight of 330.35 g/mol. Its IUPAC name is N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID136565864
Molecular FormulaC15H21F3N4O
Molecular Weight330.35 g/mol
Exact Mass330.17
IUPAC NameN-[[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESO=C(NCC1CCCN1CC(F)(F)F)c1n[nH]c2c1CCCC2
InChIInChI=1S/C15H21F3N4O/c16-15(17,18)9-22-7-3-4-10(22)8-19-14(23)13-11-5-1-2-6-12(11)20-21-13/h10H,1-9H2,(H,19,23)(H,20,21)
InChIKeyMYCMTDVAEMJVDF-UHFFFAOYSA-N
XLogP2.05
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 136565864) is N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is O=C(NCC1CCCN1CC(F)(F)F)c1n[nH]c2c1CCCC2.
What is the InChIKey of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is MYCMTDVAEMJVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N4O/c16-15(17,18)9-22-7-3-4-10(22)8-19-14(23)13-11-5-1-2-6-12(11)20-21-13/h10H,1-9H2,(H,19,23)(H,20,21).
What are the key properties of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 330.35 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 136565864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).