N-[[5-(difluoromethyl)-1H-pyrazol-4-yl]methyl]propan-2-amine

C8H13F2N3 — CID 66441656

IUPACN-[[5-(difluoromethyl)-1H-pyrazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cn[nH]c1C(F)F
InChIInChI=1S/C8H13F2N3/c1-5(2)11-3-6-4-12-13-7(6)8(9)10/h4-5,8,11H,3H2,1-2H3,(H,12,13)
InChIKeyRWLUIBFQDMISKG-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.85
Rot. Bonds4

About N-[[5-(difluoromethyl)-1H-pyrazol-4-yl]methyl]propan-2-amine

N-[[5-(difluoromethyl)-1H-pyrazol-4-yl]methyl]propan-2-amine (PubChem CID 66441656) has the molecular formula C8H13F2N3 and a molecular weight of 189.21 g/mol. Its IUPAC name is N-[[5-(difluoromethyl)-1H-pyrazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(difluoromethyl)-1H-pyrazol-4-yl]methyl]propan-2-amine
PubChem CID66441656
Molecular FormulaC8H13F2N3
Molecular Weight189.21 g/mol
Exact Mass189.11
IUPAC NameN-[[5-(difluoromethyl)-1H-pyrazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cn[nH]c1C(F)F
InChIInChI=1S/C8H13F2N3/c1-5(2)11-3-6-4-12-13-7(6)8(9)10/h4-5,8,11H,3H2,1-2H3,(H,12,13)
InChIKeyRWLUIBFQDMISKG-UHFFFAOYSA-N
XLogP1.85
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 ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dimethyl-1H-pyrazole
CID 137735
4-methyl-3-(trifluoromethyl)-1H-pyrazole
CID 2795925
(3-methyl-1H-pyrazol-4-yl)methanamine
CID 1417882
N-Methyl-N-[(3-methyl-1H-pyrazol-4-yl)methyl]amine
CID 23005762
3-methyl-4-(trifluoromethyl)-1H-pyrazole
CID 59018939
methyl((3-methyl-1H-pyrazol-4-yl)methyl)amine dihydrochloride
CID 121553850
2-{[(3-methyl-1H-pyrazol-4-yl)methyl]amino}propan-1-ol
CID 43663748
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 43730745
2-methyl-1-{[(3-methyl-1H-pyrazol-4-yl)methyl]amino}propan-2-ol
CID 63932283
(2S)-2-N,2-N,4-trimethyl-1-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentane-1,2-diamine
CID 93257810
(3S)-3-fluoro-3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine
CID 164636204
(2R)-3,3,3-trifluoro-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide
CID 164642527

Frequently Asked Questions

What is the IUPAC name of N-[[5-(difluoromethyl)-1H-pyrazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(difluoromethyl)-1H-pyrazol-4-yl]methyl]propan-2-amine (CID 66441656) is N-[[5-(difluoromethyl)-1H-pyrazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(difluoromethyl)-1H-pyrazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(difluoromethyl)-1H-pyrazol-4-yl]methyl]propan-2-amine is CC(C)NCc1cn[nH]c1C(F)F.
What is the InChIKey of N-[[5-(difluoromethyl)-1H-pyrazol-4-yl]methyl]propan-2-amine?
The InChIKey is RWLUIBFQDMISKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N3/c1-5(2)11-3-6-4-12-13-7(6)8(9)10/h4-5,8,11H,3H2,1-2H3,(H,12,13).
What are the key properties of N-[[5-(difluoromethyl)-1H-pyrazol-4-yl]methyl]propan-2-amine?
N-[[5-(difluoromethyl)-1H-pyrazol-4-yl]methyl]propan-2-amine has a molecular weight of 189.21 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(difluoromethyl)-1H-pyrazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 66441656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).