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

C12H17F2N5 — CID 122167634

IUPAC1-(difluoromethyl)-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]pyrazol-3-amine
SMILESCCCn1cc(CNc2ccn(C(F)F)n2)c(C)n1
InChIInChI=1S/C12H17F2N5/c1-3-5-18-8-10(9(2)16-18)7-15-11-4-6-19(17-11)12(13)14/h4,6,8,12H,3,5,7H2,1-2H3,(H,15,17)
InChIKeyPDBWDNQQLQQLAB-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.81
Rot. Bonds6

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

1-(difluoromethyl)-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]pyrazol-3-amine (PubChem CID 122167634) has the molecular formula C12H17F2N5 and a molecular weight of 269.30 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-(difluoromethyl)-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]pyrazol-3-amine
PubChem CID122167634
Molecular FormulaC12H17F2N5
Molecular Weight269.30 g/mol
Exact Mass269.15
IUPAC Name1-(difluoromethyl)-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]pyrazol-3-amine
SMILESCCCn1cc(CNc2ccn(C(F)F)n2)c(C)n1
InChIInChI=1S/C12H17F2N5/c1-3-5-18-8-10(9(2)16-18)7-15-11-4-6-19(17-11)12(13)14/h4,6,8,12H,3,5,7H2,1-2H3,(H,15,17)
InChIKeyPDBWDNQQLQQLAB-UHFFFAOYSA-N
XLogP2.81
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]pyrazol-3-amine?
The IUPAC name of 1-(difluoromethyl)-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]pyrazol-3-amine (CID 122167634) is 1-(difluoromethyl)-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]pyrazol-3-amine.
What is the SMILES notation for 1-(difluoromethyl)-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]pyrazol-3-amine?
The canonical SMILES for 1-(difluoromethyl)-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]pyrazol-3-amine is CCCn1cc(CNc2ccn(C(F)F)n2)c(C)n1.
What is the InChIKey of 1-(difluoromethyl)-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]pyrazol-3-amine?
The InChIKey is PDBWDNQQLQQLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N5/c1-3-5-18-8-10(9(2)16-18)7-15-11-4-6-19(17-11)12(13)14/h4,6,8,12H,3,5,7H2,1-2H3,(H,15,17).
What are the key properties of 1-(difluoromethyl)-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]pyrazol-3-amine?
1-(difluoromethyl)-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]pyrazol-3-amine has a molecular weight of 269.30 g/mol, XLogP of 2.81, 6 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-propylpyrazol-4-yl)methyl]pyrazol-3-amine is sourced from PubChem (CID 122167634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).