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

C8H13F2N3 — CID 102869228

IUPAC1,1-difluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine
SMILESCc1[nH]ncc1CNC(C)C(F)F
InChIInChI=1S/C8H13F2N3/c1-5-7(4-12-13-5)3-11-6(2)8(9)10/h4,6,8,11H,3H2,1-2H3,(H,12,13)
InChIKeyNTHUEUTXQJERKU-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.46
Rot. Bonds4

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

1,1-difluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine (PubChem CID 102869228) has the molecular formula C8H13F2N3 and a molecular weight of 189.21 g/mol. Its IUPAC name is 1,1-difluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name1,1-difluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine
PubChem CID102869228
Molecular FormulaC8H13F2N3
Molecular Weight189.21 g/mol
Exact Mass189.11
IUPAC Name1,1-difluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine
SMILESCc1[nH]ncc1CNC(C)C(F)F
InChIInChI=1S/C8H13F2N3/c1-5-7(4-12-13-5)3-11-6(2)8(9)10/h4,6,8,11H,3H2,1-2H3,(H,12,13)
InChIKeyNTHUEUTXQJERKU-UHFFFAOYSA-N
XLogP1.46
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 ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1,1-difluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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 1,1-difluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine?
The IUPAC name of 1,1-difluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine (CID 102869228) is 1,1-difluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine.
What is the SMILES notation for 1,1-difluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine?
The canonical SMILES for 1,1-difluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine is Cc1[nH]ncc1CNC(C)C(F)F.
What is the InChIKey of 1,1-difluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine?
The InChIKey is NTHUEUTXQJERKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N3/c1-5-7(4-12-13-5)3-11-6(2)8(9)10/h4,6,8,11H,3H2,1-2H3,(H,12,13).
What are the key properties of 1,1-difluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine?
1,1-difluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine has a molecular weight of 189.21 g/mol, XLogP of 1.46, 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-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 102869228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).