1-(difluoromethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazol-3-amine

C10H13F2N5 — CID 122166632

IUPAC1-(difluoromethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazol-3-amine
SMILESCc1c(CNc2ccn(C(F)F)n2)cnn1C
InChIInChI=1S/C10H13F2N5/c1-7-8(6-14-16(7)2)5-13-9-3-4-17(15-9)10(11)12/h3-4,6,10H,5H2,1-2H3,(H,13,15)
InChIKeyKNJGZOIYXTWUGI-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.93
Rot. Bonds4

About 1-(difluoromethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazol-3-amine

1-(difluoromethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazol-3-amine (PubChem CID 122166632) has the molecular formula C10H13F2N5 and a molecular weight of 241.25 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-(difluoromethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazol-3-amine
PubChem CID122166632
Molecular FormulaC10H13F2N5
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name1-(difluoromethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazol-3-amine
SMILESCc1c(CNc2ccn(C(F)F)n2)cnn1C
InChIInChI=1S/C10H13F2N5/c1-7-8(6-14-16(7)2)5-13-9-3-4-17(15-9)10(11)12/h3-4,6,10H,5H2,1-2H3,(H,13,15)
InChIKeyKNJGZOIYXTWUGI-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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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazol-3-amine?
The IUPAC name of 1-(difluoromethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazol-3-amine (CID 122166632) is 1-(difluoromethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazol-3-amine.
What is the SMILES notation for 1-(difluoromethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazol-3-amine?
The canonical SMILES for 1-(difluoromethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazol-3-amine is Cc1c(CNc2ccn(C(F)F)n2)cnn1C.
What is the InChIKey of 1-(difluoromethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazol-3-amine?
The InChIKey is KNJGZOIYXTWUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N5/c1-7-8(6-14-16(7)2)5-13-9-3-4-17(15-9)10(11)12/h3-4,6,10H,5H2,1-2H3,(H,13,15).
What are the key properties of 1-(difluoromethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazol-3-amine?
1-(difluoromethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazol-3-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)-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazol-3-amine is sourced from PubChem (CID 122166632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).