1-(difluoromethyl)-N-[[1-(methoxymethyl)cyclopentyl]methyl]pyrazole-3-carboxamide

C13H19F2N3O2 — CID 122565606

IUPAC1-(difluoromethyl)-N-[[1-(methoxymethyl)cyclopentyl]methyl]pyrazole-3-carboxamide
SMILESCOCC1(CNC(=O)c2ccn(C(F)F)n2)CCCC1
InChIInChI=1S/C13H19F2N3O2/c1-20-9-13(5-2-3-6-13)8-16-11(19)10-4-7-18(17-10)12(14)15/h4,7,12H,2-3,5-6,8-9H2,1H3,(H,16,19)
InChIKeyCTBOAKLLCSDNMV-UHFFFAOYSA-N
MW287.31 g/mol
LogP2.21
Rot. Bonds6

About 1-(difluoromethyl)-N-[[1-(methoxymethyl)cyclopentyl]methyl]pyrazole-3-carboxamide

1-(difluoromethyl)-N-[[1-(methoxymethyl)cyclopentyl]methyl]pyrazole-3-carboxamide (PubChem CID 122565606) has the molecular formula C13H19F2N3O2 and a molecular weight of 287.31 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-[[1-(methoxymethyl)cyclopentyl]methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(difluoromethyl)-N-[[1-(methoxymethyl)cyclopentyl]methyl]pyrazole-3-carboxamide
PubChem CID122565606
Molecular FormulaC13H19F2N3O2
Molecular Weight287.31 g/mol
Exact Mass287.14
IUPAC Name1-(difluoromethyl)-N-[[1-(methoxymethyl)cyclopentyl]methyl]pyrazole-3-carboxamide
SMILESCOCC1(CNC(=O)c2ccn(C(F)F)n2)CCCC1
InChIInChI=1S/C13H19F2N3O2/c1-20-9-13(5-2-3-6-13)8-16-11(19)10-4-7-18(17-10)12(14)15/h4,7,12H,2-3,5-6,8-9H2,1H3,(H,16,19)
InChIKeyCTBOAKLLCSDNMV-UHFFFAOYSA-N
XLogP2.21
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-propan-2-ylpyrazole-3-carboxamide
CID 120887142
1-(difluoromethyl)-N-[[4-(4-methylphenyl)oxan-4-yl]methyl]pyrazole-3-carboxamide
CID 46971391
N-[[1-(aminomethyl)cyclopentyl]methyl]-1-methylpyrazole-3-carboxamide
CID 103123164
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenyltriazole-4-carboxamide
CID 120887619
N-[(1-hydroxy-2-methylcyclopentyl)methyl]-1-propan-2-ylpyrazole-3-carboxamide
CID 122140288
2-chloro-N-[[1-(methoxymethyl)cyclopentyl]methyl]-3-methylbenzamide
CID 91774714
N-[2-(1-methoxycyclobutyl)ethyl]-1-propan-2-ylpyrazole-3-carboxamide
CID 125143795
N-[[1-(methoxymethyl)cyclopentyl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 91776931
4-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120890009
N-[[1-(methoxymethyl)cyclobutyl]methyl]-2-(2-methylimidazol-1-yl)propanamide
CID 119071530
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 120888556
N-[[1-(methoxymethyl)cyclopropyl]methyl]-2-(1,2,4-triazol-4-yl)benzamide
CID 122566145

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N-[[1-(methoxymethyl)cyclopentyl]methyl]pyrazole-3-carboxamide?
The IUPAC name of 1-(difluoromethyl)-N-[[1-(methoxymethyl)cyclopentyl]methyl]pyrazole-3-carboxamide (CID 122565606) is 1-(difluoromethyl)-N-[[1-(methoxymethyl)cyclopentyl]methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(difluoromethyl)-N-[[1-(methoxymethyl)cyclopentyl]methyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(difluoromethyl)-N-[[1-(methoxymethyl)cyclopentyl]methyl]pyrazole-3-carboxamide is COCC1(CNC(=O)c2ccn(C(F)F)n2)CCCC1.
What is the InChIKey of 1-(difluoromethyl)-N-[[1-(methoxymethyl)cyclopentyl]methyl]pyrazole-3-carboxamide?
The InChIKey is CTBOAKLLCSDNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N3O2/c1-20-9-13(5-2-3-6-13)8-16-11(19)10-4-7-18(17-10)12(14)15/h4,7,12H,2-3,5-6,8-9H2,1H3,(H,16,19).
What are the key properties of 1-(difluoromethyl)-N-[[1-(methoxymethyl)cyclopentyl]methyl]pyrazole-3-carboxamide?
1-(difluoromethyl)-N-[[1-(methoxymethyl)cyclopentyl]methyl]pyrazole-3-carboxamide has a molecular weight of 287.31 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N-[[1-(methoxymethyl)cyclopentyl]methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 122565606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).