(1S)-1-[1-(difluoromethyl)pyrazol-3-yl]propan-1-amine

C7H11F2N3 — CID 166163938

IUPAC(1S)-1-[1-(difluoromethyl)pyrazol-3-yl]propan-1-amine
SMILESCC[C@H](N)c1ccn(C(F)F)n1
InChIInChI=1S/C7H11F2N3/c1-2-5(10)6-3-4-12(11-6)7(8)9/h3-5,7H,2,10H2,1H3/t5-/m0/s1
InChIKeyVCRXKVZAFDLKEY-YFKPBYRVSA-N
MW175.18 g/mol
LogP1.69
Rot. Bonds3

About (1S)-1-[1-(difluoromethyl)pyrazol-3-yl]propan-1-amine

(1S)-1-[1-(difluoromethyl)pyrazol-3-yl]propan-1-amine (PubChem CID 166163938) has the molecular formula C7H11F2N3 and a molecular weight of 175.18 g/mol. Its IUPAC name is (1S)-1-[1-(difluoromethyl)pyrazol-3-yl]propan-1-amine.

Molecular Properties

Compound Name(1S)-1-[1-(difluoromethyl)pyrazol-3-yl]propan-1-amine
PubChem CID166163938
Molecular FormulaC7H11F2N3
Molecular Weight175.18 g/mol
Exact Mass175.09
IUPAC Name(1S)-1-[1-(difluoromethyl)pyrazol-3-yl]propan-1-amine
SMILESCC[C@H](N)c1ccn(C(F)F)n1
InChIInChI=1S/C7H11F2N3/c1-2-5(10)6-3-4-12(11-6)7(8)9/h3-5,7H,2,10H2,1H3/t5-/m0/s1
InChIKeyVCRXKVZAFDLKEY-YFKPBYRVSA-N
XLogP1.69
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(trifluoromethyl)-1H-pyrazol-1-yl]pentan-1-amine
CID 19616726
3-Ethyl-1-methyl-1H-pyrazole
CID 12581083
1-methyl-3-(propan-2-yl)-1H-pyrazole
CID 12251378
rac-(1R,2R)-2-(1-methyl-1H-pyrazol-5-yl)cyclopropan-1-amine dihydrochloride
CID 129841629
rac-(1R,2R)-2-(1-methyl-1H-pyrazol-3-yl)cyclopropan-1-amine dihydrochloride
CID 129841883
(1-Methylpyrazol-3-yl)methanamine
CID 7019419
1-(1-Ethyl-1H-pyrazol-3-yl)ethan-1-amine
CID 17024749
1-(1-ethyl-1H-pyrazol-5-yl)ethan-1-amine
CID 19585894
1-(1,3-dimethyl-1H-pyrazol-4-yl)propan-2-amine
CID 19585896
1-(3-(trifluoromethyl)-1H-pyrazol-1-yl)propan-2-amine
CID 19616395
alpha,1-Dimethyl-1H-pyrazole-3-methanamine
CID 19616543
1-(1-methyl-1H-pyrazol-5-yl)ethan-1-amine
CID 19616958

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[1-(difluoromethyl)pyrazol-3-yl]propan-1-amine?
The IUPAC name of (1S)-1-[1-(difluoromethyl)pyrazol-3-yl]propan-1-amine (CID 166163938) is (1S)-1-[1-(difluoromethyl)pyrazol-3-yl]propan-1-amine.
What is the SMILES notation for (1S)-1-[1-(difluoromethyl)pyrazol-3-yl]propan-1-amine?
The canonical SMILES for (1S)-1-[1-(difluoromethyl)pyrazol-3-yl]propan-1-amine is CC[C@H](N)c1ccn(C(F)F)n1.
What is the InChIKey of (1S)-1-[1-(difluoromethyl)pyrazol-3-yl]propan-1-amine?
The InChIKey is VCRXKVZAFDLKEY-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H11F2N3/c1-2-5(10)6-3-4-12(11-6)7(8)9/h3-5,7H,2,10H2,1H3/t5-/m0/s1.
What are the key properties of (1S)-1-[1-(difluoromethyl)pyrazol-3-yl]propan-1-amine?
(1S)-1-[1-(difluoromethyl)pyrazol-3-yl]propan-1-amine has a molecular weight of 175.18 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[1-(difluoromethyl)pyrazol-3-yl]propan-1-amine is sourced from PubChem (CID 166163938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).