1-pentan-3-yl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-4-amine

C14H23N5 — CID 83217307

IUPAC1-pentan-3-yl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-4-amine
SMILESCCC(CC)n1cc(N)c(-c2c(C)nn(C)c2C)n1
InChIInChI=1S/C14H23N5/c1-6-11(7-2)19-8-12(15)14(17-19)13-9(3)16-18(5)10(13)4/h8,11H,6-7,15H2,1-5H3
InChIKeyPJEBONWCQKZSPV-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.84
Rot. Bonds4

About 1-pentan-3-yl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-4-amine

1-pentan-3-yl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-4-amine (PubChem CID 83217307) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-pentan-3-yl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-4-amine.

Molecular Properties

Compound Name1-pentan-3-yl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-4-amine
PubChem CID83217307
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name1-pentan-3-yl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-4-amine
SMILESCCC(CC)n1cc(N)c(-c2c(C)nn(C)c2C)n1
InChIInChI=1S/C14H23N5/c1-6-11(7-2)19-8-12(15)14(17-19)13-9(3)16-18(5)10(13)4/h8,11H,6-7,15H2,1-5H3
InChIKeyPJEBONWCQKZSPV-UHFFFAOYSA-N
XLogP2.84
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-pentan-3-yl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-4-amine?
The IUPAC name of 1-pentan-3-yl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-4-amine (CID 83217307) is 1-pentan-3-yl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-4-amine.
What is the SMILES notation for 1-pentan-3-yl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-4-amine?
The canonical SMILES for 1-pentan-3-yl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-4-amine is CCC(CC)n1cc(N)c(-c2c(C)nn(C)c2C)n1.
What is the InChIKey of 1-pentan-3-yl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-4-amine?
The InChIKey is PJEBONWCQKZSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-6-11(7-2)19-8-12(15)14(17-19)13-9(3)16-18(5)10(13)4/h8,11H,6-7,15H2,1-5H3.
What are the key properties of 1-pentan-3-yl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-4-amine?
1-pentan-3-yl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-4-amine has a molecular weight of 261.37 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentan-3-yl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-4-amine is sourced from PubChem (CID 83217307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).