1-(difluoromethyl)-N-[(2-methylpyrazol-3-yl)methyl]pyrazol-3-amine

C9H11F2N5 — CID 122166507

IUPAC1-(difluoromethyl)-N-[(2-methylpyrazol-3-yl)methyl]pyrazol-3-amine
SMILESCn1nccc1CNc1ccn(C(F)F)n1
InChIInChI=1S/C9H11F2N5/c1-15-7(2-4-13-15)6-12-8-3-5-16(14-8)9(10)11/h2-5,9H,6H2,1H3,(H,12,14)
InChIKeyDFCBOBDVNHIBMI-UHFFFAOYSA-N
MW227.22 g/mol
LogP1.62
Rot. Bonds4

About 1-(difluoromethyl)-N-[(2-methylpyrazol-3-yl)methyl]pyrazol-3-amine

1-(difluoromethyl)-N-[(2-methylpyrazol-3-yl)methyl]pyrazol-3-amine (PubChem CID 122166507) has the molecular formula C9H11F2N5 and a molecular weight of 227.22 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-[(2-methylpyrazol-3-yl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-(difluoromethyl)-N-[(2-methylpyrazol-3-yl)methyl]pyrazol-3-amine
PubChem CID122166507
Molecular FormulaC9H11F2N5
Molecular Weight227.22 g/mol
Exact Mass227.10
IUPAC Name1-(difluoromethyl)-N-[(2-methylpyrazol-3-yl)methyl]pyrazol-3-amine
SMILESCn1nccc1CNc1ccn(C(F)F)n1
InChIInChI=1S/C9H11F2N5/c1-15-7(2-4-13-15)6-12-8-3-5-16(14-8)9(10)11/h2-5,9H,6H2,1H3,(H,12,14)
InChIKeyDFCBOBDVNHIBMI-UHFFFAOYSA-N
XLogP1.62
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N,1,3-tetramethyl-4-[[(2-methylpyrazol-3-yl)methylamino]methyl]pyrazol-5-amine
CID 53569563
N,N,3-trimethyl-1-(2-methylpropyl)-4-[[(2-methylpyrazol-3-yl)methylamino]methyl]pyrazol-5-amine
CID 53603942
1-methyl-N-[(3-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrazol-3-amine
CID 60808842
N-[(2-ethylpyrazol-3-yl)methyl]-2,5-dimethyl-1,2,4-triazol-3-amine
CID 75509092
1-[(3-Ethyltriazol-4-yl)methyl]-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]urea
CID 136555127
N-[(4-bromo-1H-pyrazol-5-yl)methyl]-1-(2,2-difluoroethyl)pyrazol-3-amine
CID 136572116
3-pyrazol-1-yl-5-(trifluoromethyl)-1H-pyrazole
CID 57596563
[1-(4-Fluoro-1,5-dimethylpyrazol-3-yl)pyrazol-3-yl]methanamine
CID 70851823
4-Fluoro-1,5-dimethyl-3-pyrazol-1-ylpyrazole
CID 89032514
4-Fluoro-1,5-dimethyl-3-(3-methylpyrazol-1-yl)pyrazole
CID 89032531
[1-(4-fluoro-5-methyl-1H-pyrazol-3-yl)pyrazol-3-yl]methanamine
CID 89147296
4-Fluoro-1,3-dimethyl-5-pyrazol-1-ylpyrazole
CID 117670105

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N-[(2-methylpyrazol-3-yl)methyl]pyrazol-3-amine?
The IUPAC name of 1-(difluoromethyl)-N-[(2-methylpyrazol-3-yl)methyl]pyrazol-3-amine (CID 122166507) is 1-(difluoromethyl)-N-[(2-methylpyrazol-3-yl)methyl]pyrazol-3-amine.
What is the SMILES notation for 1-(difluoromethyl)-N-[(2-methylpyrazol-3-yl)methyl]pyrazol-3-amine?
The canonical SMILES for 1-(difluoromethyl)-N-[(2-methylpyrazol-3-yl)methyl]pyrazol-3-amine is Cn1nccc1CNc1ccn(C(F)F)n1.
What is the InChIKey of 1-(difluoromethyl)-N-[(2-methylpyrazol-3-yl)methyl]pyrazol-3-amine?
The InChIKey is DFCBOBDVNHIBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N5/c1-15-7(2-4-13-15)6-12-8-3-5-16(14-8)9(10)11/h2-5,9H,6H2,1H3,(H,12,14).
What are the key properties of 1-(difluoromethyl)-N-[(2-methylpyrazol-3-yl)methyl]pyrazol-3-amine?
1-(difluoromethyl)-N-[(2-methylpyrazol-3-yl)methyl]pyrazol-3-amine has a molecular weight of 227.22 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N-[(2-methylpyrazol-3-yl)methyl]pyrazol-3-amine is sourced from PubChem (CID 122166507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).