1-(2,2-difluoroethyl)-N-(4-methoxybutan-2-yl)pyrazol-4-amine

C10H17F2N3O — CID 115921544

IUPAC1-(2,2-difluoroethyl)-N-(4-methoxybutan-2-yl)pyrazol-4-amine
SMILESCOCCC(C)Nc1cnn(CC(F)F)c1
InChIInChI=1S/C10H17F2N3O/c1-8(3-4-16-2)14-9-5-13-15(6-9)7-10(11)12/h5-6,8,10,14H,3-4,7H2,1-2H3
InChIKeyPXXXMIKWBNQCJN-UHFFFAOYSA-N
MW233.26 g/mol
LogP1.99
Rot. Bonds7

About 1-(2,2-difluoroethyl)-N-(4-methoxybutan-2-yl)pyrazol-4-amine

1-(2,2-difluoroethyl)-N-(4-methoxybutan-2-yl)pyrazol-4-amine (PubChem CID 115921544) has the molecular formula C10H17F2N3O and a molecular weight of 233.26 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-N-(4-methoxybutan-2-yl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-N-(4-methoxybutan-2-yl)pyrazol-4-amine
PubChem CID115921544
Molecular FormulaC10H17F2N3O
Molecular Weight233.26 g/mol
Exact Mass233.13
IUPAC Name1-(2,2-difluoroethyl)-N-(4-methoxybutan-2-yl)pyrazol-4-amine
SMILESCOCCC(C)Nc1cnn(CC(F)F)c1
InChIInChI=1S/C10H17F2N3O/c1-8(3-4-16-2)14-9-5-13-15(6-9)7-10(11)12/h5-6,8,10,14H,3-4,7H2,1-2H3
InChIKeyPXXXMIKWBNQCJN-UHFFFAOYSA-N
XLogP1.99
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(methoxymethyl)-1H-pyrazol-4-amine
CID 7017634
1-(2-methoxyethyl)-1H-pyrazol-4-amine
CID 42281885
1-methyl-N-(oxan-4-yl)-1H-pyrazol-4-amine
CID 43608643
2-[4-(methylamino)-1H-pyrazol-1-yl]ethan-1-ol
CID 59686773
1-(oxan-4-yl)-1H-pyrazol-4-amine hydrochloride
CID 90281334
1-(2,2,2-Trifluoro-1-methyl-ethyl)pyrazol-4-amine
CID 151769896
2,2,2-trifluoroethyl N-(1-ethyl-1H-pyrazol-4-yl)carbamate
CID 43543991
4,4,4-trifluoro-N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)butanamide
CID 71810259
3-pyrazol-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butan-2-amine
CID 72043621
N-[1-(3-methoxypropyl)pyrazol-4-yl]-2,2-dimethylpropanamide
CID 75505806
N-[(2S)-4-methoxy-4-methylpentan-2-yl]-1-propylpyrazol-4-amine
CID 97338511
methyl (2S)-2-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]propanoate
CID 99614390

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-N-(4-methoxybutan-2-yl)pyrazol-4-amine?
The IUPAC name of 1-(2,2-difluoroethyl)-N-(4-methoxybutan-2-yl)pyrazol-4-amine (CID 115921544) is 1-(2,2-difluoroethyl)-N-(4-methoxybutan-2-yl)pyrazol-4-amine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-N-(4-methoxybutan-2-yl)pyrazol-4-amine?
The canonical SMILES for 1-(2,2-difluoroethyl)-N-(4-methoxybutan-2-yl)pyrazol-4-amine is COCCC(C)Nc1cnn(CC(F)F)c1.
What is the InChIKey of 1-(2,2-difluoroethyl)-N-(4-methoxybutan-2-yl)pyrazol-4-amine?
The InChIKey is PXXXMIKWBNQCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N3O/c1-8(3-4-16-2)14-9-5-13-15(6-9)7-10(11)12/h5-6,8,10,14H,3-4,7H2,1-2H3.
What are the key properties of 1-(2,2-difluoroethyl)-N-(4-methoxybutan-2-yl)pyrazol-4-amine?
1-(2,2-difluoroethyl)-N-(4-methoxybutan-2-yl)pyrazol-4-amine has a molecular weight of 233.26 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-N-(4-methoxybutan-2-yl)pyrazol-4-amine is sourced from PubChem (CID 115921544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).