N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-4,4-difluorocyclohexane-1-carboxamide

C12H18F2N4O — CID 104592707

IUPACN-[4-(aminomethyl)-1-methylpyrazol-3-yl]-4,4-difluorocyclohexane-1-carboxamide
SMILESCn1cc(CN)c(NC(=O)C2CCC(F)(F)CC2)n1
InChIInChI=1S/C12H18F2N4O/c1-18-7-9(6-15)10(17-18)16-11(19)8-2-4-12(13,14)5-3-8/h7-8H,2-6,15H2,1H3,(H,16,17,19)
InChIKeyIGUUCRADOQARND-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.64
Rot. Bonds3

About N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-4,4-difluorocyclohexane-1-carboxamide

N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-4,4-difluorocyclohexane-1-carboxamide (PubChem CID 104592707) has the molecular formula C12H18F2N4O and a molecular weight of 272.30 g/mol. Its IUPAC name is N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-4,4-difluorocyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)-1-methylpyrazol-3-yl]-4,4-difluorocyclohexane-1-carboxamide
PubChem CID104592707
Molecular FormulaC12H18F2N4O
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC NameN-[4-(aminomethyl)-1-methylpyrazol-3-yl]-4,4-difluorocyclohexane-1-carboxamide
SMILESCn1cc(CN)c(NC(=O)C2CCC(F)(F)CC2)n1
InChIInChI=1S/C12H18F2N4O/c1-18-7-9(6-15)10(17-18)16-11(19)8-2-4-12(13,14)5-3-8/h7-8H,2-6,15H2,1H3,(H,16,17,19)
InChIKeyIGUUCRADOQARND-UHFFFAOYSA-N
XLogP1.64
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 104592766
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]propanamide
CID 104592680
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-1,3-dimethylpyrazole-4-carboxamide
CID 102801083
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-2-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 104592748
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]pyrimidine-5-carboxamide
CID 102921219
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-2-methyl-2-methylsulfonylpropanamide
CID 113430305
1-(4,4-difluorocyclohexyl)-2-(1-methylpyrazol-3-yl)ethanone
CID 105123784
N-(4-cyano-1-methylpyrazol-3-yl)cyclopentanecarboxamide
CID 112696251
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-4-fluoro-3-methylbenzamide
CID 104592785
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
CID 104592677
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 114040762
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-4-ethoxybenzamide
CID 104592742

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-4,4-difluorocyclohexane-1-carboxamide?
The IUPAC name of N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-4,4-difluorocyclohexane-1-carboxamide (CID 104592707) is N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-4,4-difluorocyclohexane-1-carboxamide.
What is the SMILES notation for N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-4,4-difluorocyclohexane-1-carboxamide?
The canonical SMILES for N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-4,4-difluorocyclohexane-1-carboxamide is Cn1cc(CN)c(NC(=O)C2CCC(F)(F)CC2)n1.
What is the InChIKey of N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-4,4-difluorocyclohexane-1-carboxamide?
The InChIKey is IGUUCRADOQARND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N4O/c1-18-7-9(6-15)10(17-18)16-11(19)8-2-4-12(13,14)5-3-8/h7-8H,2-6,15H2,1H3,(H,16,17,19).
What are the key properties of N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-4,4-difluorocyclohexane-1-carboxamide?
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-4,4-difluorocyclohexane-1-carboxamide has a molecular weight of 272.30 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-4,4-difluorocyclohexane-1-carboxamide is sourced from PubChem (CID 104592707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).