N-[(2,5-dimethylpyrazol-3-yl)methyl]-4,4-difluorocyclohexan-1-amine

C12H19F2N3 — CID 165412148

IUPACN-[(2,5-dimethylpyrazol-3-yl)methyl]-4,4-difluorocyclohexan-1-amine
SMILESCc1cc(CNC2CCC(F)(F)CC2)n(C)n1
InChIInChI=1S/C12H19F2N3/c1-9-7-11(17(2)16-9)8-15-10-3-5-12(13,14)6-4-10/h7,10,15H,3-6,8H2,1-2H3
InChIKeyVJWRZHCSGAGBHA-UHFFFAOYSA-N
MW243.30 g/mol
LogP2.40
Rot. Bonds3

About N-[(2,5-dimethylpyrazol-3-yl)methyl]-4,4-difluorocyclohexan-1-amine

N-[(2,5-dimethylpyrazol-3-yl)methyl]-4,4-difluorocyclohexan-1-amine (PubChem CID 165412148) has the molecular formula C12H19F2N3 and a molecular weight of 243.30 g/mol. Its IUPAC name is N-[(2,5-dimethylpyrazol-3-yl)methyl]-4,4-difluorocyclohexan-1-amine.

Molecular Properties

Compound NameN-[(2,5-dimethylpyrazol-3-yl)methyl]-4,4-difluorocyclohexan-1-amine
PubChem CID165412148
Molecular FormulaC12H19F2N3
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC NameN-[(2,5-dimethylpyrazol-3-yl)methyl]-4,4-difluorocyclohexan-1-amine
SMILESCc1cc(CNC2CCC(F)(F)CC2)n(C)n1
InChIInChI=1S/C12H19F2N3/c1-9-7-11(17(2)16-9)8-15-10-3-5-12(13,14)6-4-10/h7,10,15H,3-6,8H2,1-2H3
InChIKeyVJWRZHCSGAGBHA-UHFFFAOYSA-N
XLogP2.40
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-bromo-1-methylpyrazol-5-yl)methyl]cyclopropanamine
CID 131176759
N-(cyclopropylmethyl)-1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidin-4-amine
CID 115307348
5-[[1-(bromomethyl)-4-tert-butylcyclohexyl]methyl]-1,3-dimethylpyrazole
CID 66048706
N-[(2,5-dimethylpyrazol-3-yl)methyl]-3,5-dimethyladamantan-1-amine
CID 79997673
N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79358821
N-[(1-methyl-3-nitropyrazol-5-yl)methyl]cyclopropanamine
CID 122171512
N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methylpyrrolidin-3-amine
CID 107424714
2-(2,5-dimethylpyrazol-3-yl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone
CID 103450683
3-cyclopentyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]propan-1-amine
CID 114136949
N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-methylcyclopentan-1-amine
CID 114545767
5-[[1-(bromomethyl)cyclopentyl]methyl]-1,3-dimethylpyrazole
CID 66048250
1-(2,5-dimethylpyrazol-3-yl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]methanamine
CID 122166754

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)methyl]-4,4-difluorocyclohexan-1-amine?
The IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)methyl]-4,4-difluorocyclohexan-1-amine (CID 165412148) is N-[(2,5-dimethylpyrazol-3-yl)methyl]-4,4-difluorocyclohexan-1-amine.
What is the SMILES notation for N-[(2,5-dimethylpyrazol-3-yl)methyl]-4,4-difluorocyclohexan-1-amine?
The canonical SMILES for N-[(2,5-dimethylpyrazol-3-yl)methyl]-4,4-difluorocyclohexan-1-amine is Cc1cc(CNC2CCC(F)(F)CC2)n(C)n1.
What is the InChIKey of N-[(2,5-dimethylpyrazol-3-yl)methyl]-4,4-difluorocyclohexan-1-amine?
The InChIKey is VJWRZHCSGAGBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2N3/c1-9-7-11(17(2)16-9)8-15-10-3-5-12(13,14)6-4-10/h7,10,15H,3-6,8H2,1-2H3.
What are the key properties of N-[(2,5-dimethylpyrazol-3-yl)methyl]-4,4-difluorocyclohexan-1-amine?
N-[(2,5-dimethylpyrazol-3-yl)methyl]-4,4-difluorocyclohexan-1-amine has a molecular weight of 243.30 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylpyrazol-3-yl)methyl]-4,4-difluorocyclohexan-1-amine is sourced from PubChem (CID 165412148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).