5-(2,4-difluorophenyl)-N-propyl-1H-pyrazol-3-amine

C12H13F2N3 — CID 55145366

IUPAC5-(2,4-difluorophenyl)-N-propyl-1H-pyrazol-3-amine
SMILESCCCNc1cc(-c2ccc(F)cc2F)[nH]n1
InChIInChI=1S/C12H13F2N3/c1-2-5-15-12-7-11(16-17-12)9-4-3-8(13)6-10(9)14/h3-4,6-7H,2,5H2,1H3,(H2,15,16,17)
InChIKeyDVRWLJPBJNXXPV-UHFFFAOYSA-N
MW237.25 g/mol
LogP3.18
Rot. Bonds4

About 5-(2,4-difluorophenyl)-N-propyl-1H-pyrazol-3-amine

5-(2,4-difluorophenyl)-N-propyl-1H-pyrazol-3-amine (PubChem CID 55145366) has the molecular formula C12H13F2N3 and a molecular weight of 237.25 g/mol. Its IUPAC name is 5-(2,4-difluorophenyl)-N-propyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(2,4-difluorophenyl)-N-propyl-1H-pyrazol-3-amine
PubChem CID55145366
Molecular FormulaC12H13F2N3
Molecular Weight237.25 g/mol
Exact Mass237.11
IUPAC Name5-(2,4-difluorophenyl)-N-propyl-1H-pyrazol-3-amine
SMILESCCCNc1cc(-c2ccc(F)cc2F)[nH]n1
InChIInChI=1S/C12H13F2N3/c1-2-5-15-12-7-11(16-17-12)9-4-3-8(13)6-10(9)14/h3-4,6-7H,2,5H2,1H3,(H2,15,16,17)
InChIKeyDVRWLJPBJNXXPV-UHFFFAOYSA-N
XLogP3.18
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenyl)-N-propyl-1H-pyrazol-3-amine?
The IUPAC name of 5-(2,4-difluorophenyl)-N-propyl-1H-pyrazol-3-amine (CID 55145366) is 5-(2,4-difluorophenyl)-N-propyl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(2,4-difluorophenyl)-N-propyl-1H-pyrazol-3-amine?
The canonical SMILES for 5-(2,4-difluorophenyl)-N-propyl-1H-pyrazol-3-amine is CCCNc1cc(-c2ccc(F)cc2F)[nH]n1.
What is the InChIKey of 5-(2,4-difluorophenyl)-N-propyl-1H-pyrazol-3-amine?
The InChIKey is DVRWLJPBJNXXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3/c1-2-5-15-12-7-11(16-17-12)9-4-3-8(13)6-10(9)14/h3-4,6-7H,2,5H2,1H3,(H2,15,16,17).
What are the key properties of 5-(2,4-difluorophenyl)-N-propyl-1H-pyrazol-3-amine?
5-(2,4-difluorophenyl)-N-propyl-1H-pyrazol-3-amine has a molecular weight of 237.25 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenyl)-N-propyl-1H-pyrazol-3-amine is sourced from PubChem (CID 55145366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).