1,1-difluoro-N-(1H-pyrazol-4-ylmethyl)propan-2-amine

C7H11F2N3 — CID 102869224

IUPAC1,1-difluoro-N-(1H-pyrazol-4-ylmethyl)propan-2-amine
SMILESCC(NCc1cn[nH]c1)C(F)F
InChIInChI=1S/C7H11F2N3/c1-5(7(8)9)10-2-6-3-11-12-4-6/h3-5,7,10H,2H2,1H3,(H,11,12)
InChIKeyBNXSJFSLFMSFPF-UHFFFAOYSA-N
MW175.18 g/mol
LogP1.15
Rot. Bonds4

About 1,1-difluoro-N-(1H-pyrazol-4-ylmethyl)propan-2-amine

1,1-difluoro-N-(1H-pyrazol-4-ylmethyl)propan-2-amine (PubChem CID 102869224) has the molecular formula C7H11F2N3 and a molecular weight of 175.18 g/mol. Its IUPAC name is 1,1-difluoro-N-(1H-pyrazol-4-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name1,1-difluoro-N-(1H-pyrazol-4-ylmethyl)propan-2-amine
PubChem CID102869224
Molecular FormulaC7H11F2N3
Molecular Weight175.18 g/mol
Exact Mass175.09
IUPAC Name1,1-difluoro-N-(1H-pyrazol-4-ylmethyl)propan-2-amine
SMILESCC(NCc1cn[nH]c1)C(F)F
InChIInChI=1S/C7H11F2N3/c1-5(7(8)9)10-2-6-3-11-12-4-6/h3-5,7,10H,2H2,1H3,(H,11,12)
InChIKeyBNXSJFSLFMSFPF-UHFFFAOYSA-N
XLogP1.15
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(Trifluoromethyl)-1H-pyrazole
CID 12777795
methyl(1H-pyrazol-4-ylmethyl)amine dihydrochloride
CID 54593142
4-(difluoromethyl)-1H-pyrazole
CID 67635188
dimethyl[(1H-pyrazol-4-yl)methyl]amine dihydrochloride
CID 165943184
methyl((1H-pyrazol-4-yl)methyl)amine hydrochloride
CID 167716177
dimethyl[(1H-pyrazol-4-yl)methyl]amine
CID 22929641
N-methyl-1-(1H-pyrazol-4-yl)methanamine
CID 22929644
2,2-Difluoro-N-(1H-pyrazol-4-ylmethyl)ethanamine
CID 115407117
(1H-Pyrazol-4-ylmethylene)-(2,2,2-trifluoro-ethyl)-amine
CID 136341389
ethane;4-methyl-1H-pyrazole;1,1,1-trifluoroethane
CID 143114363
2-methyl-4-(trifluoromethyl)-1H-pyrazol-2-ium
CID 144394648
propane;4-(trifluoromethyl)-1H-pyrazole
CID 145003355

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-(1H-pyrazol-4-ylmethyl)propan-2-amine?
The IUPAC name of 1,1-difluoro-N-(1H-pyrazol-4-ylmethyl)propan-2-amine (CID 102869224) is 1,1-difluoro-N-(1H-pyrazol-4-ylmethyl)propan-2-amine.
What is the SMILES notation for 1,1-difluoro-N-(1H-pyrazol-4-ylmethyl)propan-2-amine?
The canonical SMILES for 1,1-difluoro-N-(1H-pyrazol-4-ylmethyl)propan-2-amine is CC(NCc1cn[nH]c1)C(F)F.
What is the InChIKey of 1,1-difluoro-N-(1H-pyrazol-4-ylmethyl)propan-2-amine?
The InChIKey is BNXSJFSLFMSFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N3/c1-5(7(8)9)10-2-6-3-11-12-4-6/h3-5,7,10H,2H2,1H3,(H,11,12).
What are the key properties of 1,1-difluoro-N-(1H-pyrazol-4-ylmethyl)propan-2-amine?
1,1-difluoro-N-(1H-pyrazol-4-ylmethyl)propan-2-amine has a molecular weight of 175.18 g/mol, XLogP of 1.15, 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-(1H-pyrazol-4-ylmethyl)propan-2-amine is sourced from PubChem (CID 102869224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).