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

C10H13F2N5 — CID 122166591

IUPAC1-(difluoromethyl)-N-[(1-ethylpyrazol-3-yl)methyl]pyrazol-3-amine
SMILESCCn1ccc(CNc2ccn(C(F)F)n2)n1
InChIInChI=1S/C10H13F2N5/c1-2-16-5-3-8(14-16)7-13-9-4-6-17(15-9)10(11)12/h3-6,10H,2,7H2,1H3,(H,13,15)
InChIKeyYTWFKVPJDVOSFS-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.11
Rot. Bonds5

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

1-(difluoromethyl)-N-[(1-ethylpyrazol-3-yl)methyl]pyrazol-3-amine (PubChem CID 122166591) has the molecular formula C10H13F2N5 and a molecular weight of 241.25 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-[(1-ethylpyrazol-3-yl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-(difluoromethyl)-N-[(1-ethylpyrazol-3-yl)methyl]pyrazol-3-amine
PubChem CID122166591
Molecular FormulaC10H13F2N5
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name1-(difluoromethyl)-N-[(1-ethylpyrazol-3-yl)methyl]pyrazol-3-amine
SMILESCCn1ccc(CNc2ccn(C(F)F)n2)n1
InChIInChI=1S/C10H13F2N5/c1-2-16-5-3-8(14-16)7-13-9-4-6-17(15-9)10(11)12/h3-6,10H,2,7H2,1H3,(H,13,15)
InChIKeyYTWFKVPJDVOSFS-UHFFFAOYSA-N
XLogP2.11
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.11
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-ethylpyrazol-3-yl)methyl]pyrazol-3-amine?
The IUPAC name of 1-(difluoromethyl)-N-[(1-ethylpyrazol-3-yl)methyl]pyrazol-3-amine (CID 122166591) is 1-(difluoromethyl)-N-[(1-ethylpyrazol-3-yl)methyl]pyrazol-3-amine.
What is the SMILES notation for 1-(difluoromethyl)-N-[(1-ethylpyrazol-3-yl)methyl]pyrazol-3-amine?
The canonical SMILES for 1-(difluoromethyl)-N-[(1-ethylpyrazol-3-yl)methyl]pyrazol-3-amine is CCn1ccc(CNc2ccn(C(F)F)n2)n1.
What is the InChIKey of 1-(difluoromethyl)-N-[(1-ethylpyrazol-3-yl)methyl]pyrazol-3-amine?
The InChIKey is YTWFKVPJDVOSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N5/c1-2-16-5-3-8(14-16)7-13-9-4-6-17(15-9)10(11)12/h3-6,10H,2,7H2,1H3,(H,13,15).
What are the key properties of 1-(difluoromethyl)-N-[(1-ethylpyrazol-3-yl)methyl]pyrazol-3-amine?
1-(difluoromethyl)-N-[(1-ethylpyrazol-3-yl)methyl]pyrazol-3-amine has a molecular weight of 241.25 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N-[(1-ethylpyrazol-3-yl)methyl]pyrazol-3-amine is sourced from PubChem (CID 122166591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).