1-(difluoromethyl)-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-3-amine

C12H17F2N5 — CID 122167539

IUPAC1-(difluoromethyl)-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-3-amine
SMILESCc1nn(C(C)C)cc1CNc1ccn(C(F)F)n1
InChIInChI=1S/C12H17F2N5/c1-8(2)19-7-10(9(3)16-19)6-15-11-4-5-18(17-11)12(13)14/h4-5,7-8,12H,6H2,1-3H3,(H,15,17)
InChIKeyUUOARSNWUJPFGT-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.98
Rot. Bonds5

About 1-(difluoromethyl)-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-3-amine

1-(difluoromethyl)-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-3-amine (PubChem CID 122167539) has the molecular formula C12H17F2N5 and a molecular weight of 269.30 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-(difluoromethyl)-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-3-amine
PubChem CID122167539
Molecular FormulaC12H17F2N5
Molecular Weight269.30 g/mol
Exact Mass269.15
IUPAC Name1-(difluoromethyl)-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-3-amine
SMILESCc1nn(C(C)C)cc1CNc1ccn(C(F)F)n1
InChIInChI=1S/C12H17F2N5/c1-8(2)19-7-10(9(3)16-19)6-15-11-4-5-18(17-11)12(13)14/h4-5,7-8,12H,6H2,1-3H3,(H,15,17)
InChIKeyUUOARSNWUJPFGT-UHFFFAOYSA-N
XLogP2.98
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(difluoromethyl)-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-3-amine;hydrochloride
CID 126967496
1-(difluoromethyl)-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]pyrazol-3-amine
CID 122167634
1,5-dimethyl-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-3-amine
CID 122167521
1-(difluoromethyl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]pyrazol-3-amine
CID 122166773
N-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methyl]-1-(difluoromethyl)pyrazol-3-amine;hydrochloride
CID 126967623
1-(difluoromethyl)-N-[(2,3-difluorophenyl)methyl]pyrazol-3-amine;hydrochloride
CID 126966418
1-(2,2-difluoroethyl)-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-4-amine
CID 122167550
1-(difluoromethyl)-N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-3-amine;hydrochloride
CID 126964934
1-(difluoromethyl)-N-[(1,4-dimethylpyrazol-5-yl)methyl]pyrazol-3-amine;hydrochloride
CID 126964188
N-(2-fluoroethyl)-1-propan-2-ylpyrazol-3-amine
CID 130496244
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-amine;hydrochloride
CID 126963985
1-(difluoromethyl)-N-(furan-2-ylmethyl)pyrazol-3-amine
CID 122168918

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-3-amine?
The IUPAC name of 1-(difluoromethyl)-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-3-amine (CID 122167539) is 1-(difluoromethyl)-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-3-amine.
What is the SMILES notation for 1-(difluoromethyl)-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-3-amine?
The canonical SMILES for 1-(difluoromethyl)-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-3-amine is Cc1nn(C(C)C)cc1CNc1ccn(C(F)F)n1.
What is the InChIKey of 1-(difluoromethyl)-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-3-amine?
The InChIKey is UUOARSNWUJPFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N5/c1-8(2)19-7-10(9(3)16-19)6-15-11-4-5-18(17-11)12(13)14/h4-5,7-8,12H,6H2,1-3H3,(H,15,17).
What are the key properties of 1-(difluoromethyl)-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-3-amine?
1-(difluoromethyl)-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-3-amine has a molecular weight of 269.30 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-3-amine is sourced from PubChem (CID 122167539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).