N-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-ylmethyl)-N-cyclopropyl-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide

C19H27F2N3O — CID 71582171

IUPACN-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-ylmethyl)-N-cyclopropyl-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)N(CC2CCCC3CCCC32)C2CC2)c(C(F)F)n1
InChIInChI=1S/C19H27F2N3O/c1-23-11-16(17(22-23)18(20)21)19(25)24(14-8-9-14)10-13-6-2-4-12-5-3-7-15(12)13/h11-15,18H,2-10H2,1H3
InChIKeyFAQZROLACQXQSH-UHFFFAOYSA-N
MW351.44 g/mol
LogP4.18
Rot. Bonds5

About N-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-ylmethyl)-N-cyclopropyl-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide

N-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-ylmethyl)-N-cyclopropyl-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide (PubChem CID 71582171) has the molecular formula C19H27F2N3O and a molecular weight of 351.44 g/mol. Its IUPAC name is N-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-ylmethyl)-N-cyclopropyl-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-ylmethyl)-N-cyclopropyl-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
PubChem CID71582171
Molecular FormulaC19H27F2N3O
Molecular Weight351.44 g/mol
Exact Mass351.21
IUPAC NameN-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-ylmethyl)-N-cyclopropyl-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)N(CC2CCCC3CCCC32)C2CC2)c(C(F)F)n1
InChIInChI=1S/C19H27F2N3O/c1-23-11-16(17(22-23)18(20)21)19(25)24(14-8-9-14)10-13-6-2-4-12-5-3-7-15(12)13/h11-15,18H,2-10H2,1H3
InChIKeyFAQZROLACQXQSH-UHFFFAOYSA-N
XLogP4.18
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.44
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-ylmethyl)-N-cyclopropyl-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-ylmethyl)-N-cyclopropyl-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide (CID 71582171) is N-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-ylmethyl)-N-cyclopropyl-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-ylmethyl)-N-cyclopropyl-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-ylmethyl)-N-cyclopropyl-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)N(CC2CCCC3CCCC32)C2CC2)c(C(F)F)n1.
What is the InChIKey of N-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-ylmethyl)-N-cyclopropyl-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is FAQZROLACQXQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F2N3O/c1-23-11-16(17(22-23)18(20)21)19(25)24(14-8-9-14)10-13-6-2-4-12-5-3-7-15(12)13/h11-15,18H,2-10H2,1H3.
What are the key properties of N-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-ylmethyl)-N-cyclopropyl-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide?
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-ylmethyl)-N-cyclopropyl-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 351.44 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-ylmethyl)-N-cyclopropyl-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 71582171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).