3-(difluoromethyl)-1-methylpyrazol-5-amine

C5H7F2N3 — CID 50896494

IUPAC3-(difluoromethyl)-1-methylpyrazol-5-amine
SMILESCn1nc(C(F)F)cc1N
InChIInChI=1S/C5H7F2N3/c1-10-4(8)2-3(9-10)5(6)7/h2,5H,8H2,1H3
InChIKeyCHPBALMNOJRUKP-UHFFFAOYSA-N
MW147.13 g/mol
LogP0.94
Rot. Bonds1

About 3-(difluoromethyl)-1-methylpyrazol-5-amine

3-(difluoromethyl)-1-methylpyrazol-5-amine (PubChem CID 50896494) has the molecular formula C5H7F2N3 and a molecular weight of 147.13 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-(difluoromethyl)-1-methylpyrazol-5-amine
PubChem CID50896494
Molecular FormulaC5H7F2N3
Molecular Weight147.13 g/mol
Exact Mass147.06
IUPAC Name3-(difluoromethyl)-1-methylpyrazol-5-amine
SMILESCn1nc(C(F)F)cc1N
InChIInChI=1S/C5H7F2N3/c1-10-4(8)2-3(9-10)5(6)7/h2,5H,8H2,1H3
InChIKeyCHPBALMNOJRUKP-UHFFFAOYSA-N
XLogP0.94
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-Dimethyl-1H-pyrazol-5-amine
CID 520721
1-Isopropyl-3-methyl-1H-pyrazol-5-amine
CID 121018
1-tert-Butyl-3-methyl-1H-pyrazol-5-amine
CID 737200
1-Ethyl-3-methyl-1H-pyrazol-5-amine
CID 2768383
3-methyl-1-pentyl-1H-pyrazol-5-amine
CID 2828712
1,5-dimethyl-1H-pyrazol-3-amine
CID 7017747
1-Cyclopentyl-3-methyl-1H-pyrazol-5-amine
CID 3152524
5-Methyl-1-(1-methylethyl)-1H-pyrazol-3-amine
CID 7176029
3-Methyl-1-propyl-1H-pyrazol-5-amine
CID 1094292
3-(5-amino-3-methyl-1H-pyrazol-1-yl)propanenitrile
CID 2328311
5-Amino-N,N,3-trimethyl-1H-pyrazole-1-ethanamine
CID 2758501
1-ethyl-5-methyl-1H-pyrazol-3-amine
CID 6485384

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-methylpyrazol-5-amine?
The IUPAC name of 3-(difluoromethyl)-1-methylpyrazol-5-amine (CID 50896494) is 3-(difluoromethyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-(difluoromethyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 3-(difluoromethyl)-1-methylpyrazol-5-amine is Cn1nc(C(F)F)cc1N.
What is the InChIKey of 3-(difluoromethyl)-1-methylpyrazol-5-amine?
The InChIKey is CHPBALMNOJRUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2N3/c1-10-4(8)2-3(9-10)5(6)7/h2,5H,8H2,1H3.
What are the key properties of 3-(difluoromethyl)-1-methylpyrazol-5-amine?
3-(difluoromethyl)-1-methylpyrazol-5-amine has a molecular weight of 147.13 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 50896494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).