1,1-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]propan-2-amine

C8H13F2N3 — CID 106209289

IUPAC1,1-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]propan-2-amine
SMILESCC(NC(C)C(F)F)c1cn[nH]c1
InChIInChI=1S/C8H13F2N3/c1-5(7-3-11-12-4-7)13-6(2)8(9)10/h3-6,8,13H,1-2H3,(H,11,12)
InChIKeyBZRWUSMHSORWNL-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.71
Rot. Bonds4

About 1,1-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]propan-2-amine

1,1-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]propan-2-amine (PubChem CID 106209289) has the molecular formula C8H13F2N3 and a molecular weight of 189.21 g/mol. Its IUPAC name is 1,1-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1,1-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]propan-2-amine
PubChem CID106209289
Molecular FormulaC8H13F2N3
Molecular Weight189.21 g/mol
Exact Mass189.11
IUPAC Name1,1-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]propan-2-amine
SMILESCC(NC(C)C(F)F)c1cn[nH]c1
InChIInChI=1S/C8H13F2N3/c1-5(7-3-11-12-4-7)13-6(2)8(9)10/h3-6,8,13H,1-2H3,(H,11,12)
InChIKeyBZRWUSMHSORWNL-UHFFFAOYSA-N
XLogP1.71
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1H-pyrazol-4-yl)ethan-1-amine hydrochloride
CID 71757321
4-(2,2,2-trifluoroethyl)-1H-pyrazole
CID 91351724
4-(1,1-difluoroethyl)-1H-pyrazole
CID 105427656
2-(1H-pyrazol-4-yl)piperazine
CID 131060075
N-Methyl-N-[(3-methyl-1H-pyrazol-4-yl)methyl]amine
CID 23005762
1-(1H-pyrazol-4-yl)ethan-1-amine dihydrochloride
CID 154810475
1-(1H-pyrazol-4-yl)ethanamine
CID 62731705
1-[1-(3,3,3-Trifluoropropyl)pyrazol-4-yl]ethanamine
CID 64566976
N-methyl-1-(3-(trifluoromethyl)-1H-pyrazol-4-yl)methanamine
CID 66440243
N-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine
CID 66441856
N-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]cyclohexanamine
CID 68046756
1-((3-(trifluoromethyl)-1H-pyrazol-4-yl)methyl)piperazine
CID 82620222

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]propan-2-amine?
The IUPAC name of 1,1-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]propan-2-amine (CID 106209289) is 1,1-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]propan-2-amine.
What is the SMILES notation for 1,1-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]propan-2-amine?
The canonical SMILES for 1,1-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]propan-2-amine is CC(NC(C)C(F)F)c1cn[nH]c1.
What is the InChIKey of 1,1-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]propan-2-amine?
The InChIKey is BZRWUSMHSORWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N3/c1-5(7-3-11-12-4-7)13-6(2)8(9)10/h3-6,8,13H,1-2H3,(H,11,12).
What are the key properties of 1,1-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]propan-2-amine?
1,1-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]propan-2-amine has a molecular weight of 189.21 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]propan-2-amine is sourced from PubChem (CID 106209289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).