1-(difluoromethyl)-3-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-amine

C10H13F2N5 — CID 122166559

IUPAC1-(difluoromethyl)-3-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-amine
SMILESCc1nn(C(F)F)cc1NCc1ccn(C)n1
InChIInChI=1S/C10H13F2N5/c1-7-9(6-17(14-7)10(11)12)13-5-8-3-4-16(2)15-8/h3-4,6,10,13H,5H2,1-2H3
InChIKeyADMODBMNPYYASS-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.93
Rot. Bonds4

About 1-(difluoromethyl)-3-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-amine

1-(difluoromethyl)-3-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-amine (PubChem CID 122166559) has the molecular formula C10H13F2N5 and a molecular weight of 241.25 g/mol. Its IUPAC name is 1-(difluoromethyl)-3-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-(difluoromethyl)-3-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-amine
PubChem CID122166559
Molecular FormulaC10H13F2N5
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name1-(difluoromethyl)-3-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-amine
SMILESCc1nn(C(F)F)cc1NCc1ccn(C)n1
InChIInChI=1S/C10H13F2N5/c1-7-9(6-17(14-7)10(11)12)13-5-8-3-4-16(2)15-8/h3-4,6,10,13H,5H2,1-2H3
InChIKeyADMODBMNPYYASS-UHFFFAOYSA-N
XLogP1.93
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-dimethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-amine
CID 102805025
1-(difluoromethyl)-N-[(3-fluorophenyl)methyl]-3-methylpyrazol-4-amine;hydrochloride
CID 126966938
1-(difluoromethyl)-N-[(4-ethoxyphenyl)methyl]-3-methylpyrazol-4-amine
CID 122168109
2-fluoro-N-[(1-methylpyrazol-3-yl)methyl]aniline
CID 19619185
1-(difluoromethyl)-N-[(2-methoxyphenyl)methyl]-3-methylpyrazol-4-amine;hydrochloride
CID 126967481
2-[[1-(difluoromethyl)-3-methylpyrazol-4-yl]amino]acetic acid
CID 154882073
4-chloro-2-fluoro-N-[(1-methylpyrazol-3-yl)methyl]aniline
CID 82866817
4-iodo-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]aniline
CID 115909524
2-bromo-4-methyl-N-[(1-methylpyrazol-3-yl)methyl]aniline
CID 82867128
2,3,5-trifluoro-N-[(1-methylpyrazol-3-yl)methyl]aniline
CID 82866486
2,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine;hydrochloride
CID 126965380
5-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyridin-3-amine
CID 115748880

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-3-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-amine?
The IUPAC name of 1-(difluoromethyl)-3-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-amine (CID 122166559) is 1-(difluoromethyl)-3-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-amine.
What is the SMILES notation for 1-(difluoromethyl)-3-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-amine?
The canonical SMILES for 1-(difluoromethyl)-3-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-amine is Cc1nn(C(F)F)cc1NCc1ccn(C)n1.
What is the InChIKey of 1-(difluoromethyl)-3-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-amine?
The InChIKey is ADMODBMNPYYASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N5/c1-7-9(6-17(14-7)10(11)12)13-5-8-3-4-16(2)15-8/h3-4,6,10,13H,5H2,1-2H3.
What are the key properties of 1-(difluoromethyl)-3-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-amine?
1-(difluoromethyl)-3-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-amine has a molecular weight of 241.25 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-3-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-amine is sourced from PubChem (CID 122166559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).