N-(1-cyclopropylbutyl)-1,3,5-trimethylpyrazol-4-amine

C13H23N3 — CID 115927532

IUPACN-(1-cyclopropylbutyl)-1,3,5-trimethylpyrazol-4-amine
SMILESCCCC(Nc1c(C)nn(C)c1C)C1CC1
InChIInChI=1S/C13H23N3/c1-5-6-12(11-7-8-11)14-13-9(2)15-16(4)10(13)3/h11-12,14H,5-8H2,1-4H3
InChIKeyZANKZGZTGUDYFZ-UHFFFAOYSA-N
MW221.35 g/mol
LogP3.03
Rot. Bonds5

About N-(1-cyclopropylbutyl)-1,3,5-trimethylpyrazol-4-amine

N-(1-cyclopropylbutyl)-1,3,5-trimethylpyrazol-4-amine (PubChem CID 115927532) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-(1-cyclopropylbutyl)-1,3,5-trimethylpyrazol-4-amine.

Molecular Properties

Compound NameN-(1-cyclopropylbutyl)-1,3,5-trimethylpyrazol-4-amine
PubChem CID115927532
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-(1-cyclopropylbutyl)-1,3,5-trimethylpyrazol-4-amine
SMILESCCCC(Nc1c(C)nn(C)c1C)C1CC1
InChIInChI=1S/C13H23N3/c1-5-6-12(11-7-8-11)14-13-9(2)15-16(4)10(13)3/h11-12,14H,5-8H2,1-4H3
InChIKeyZANKZGZTGUDYFZ-UHFFFAOYSA-N
XLogP3.03
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylbutyl)-1,3,5-trimethylpyrazol-4-amine?
The IUPAC name of N-(1-cyclopropylbutyl)-1,3,5-trimethylpyrazol-4-amine (CID 115927532) is N-(1-cyclopropylbutyl)-1,3,5-trimethylpyrazol-4-amine.
What is the SMILES notation for N-(1-cyclopropylbutyl)-1,3,5-trimethylpyrazol-4-amine?
The canonical SMILES for N-(1-cyclopropylbutyl)-1,3,5-trimethylpyrazol-4-amine is CCCC(Nc1c(C)nn(C)c1C)C1CC1.
What is the InChIKey of N-(1-cyclopropylbutyl)-1,3,5-trimethylpyrazol-4-amine?
The InChIKey is ZANKZGZTGUDYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-5-6-12(11-7-8-11)14-13-9(2)15-16(4)10(13)3/h11-12,14H,5-8H2,1-4H3.
What are the key properties of N-(1-cyclopropylbutyl)-1,3,5-trimethylpyrazol-4-amine?
N-(1-cyclopropylbutyl)-1,3,5-trimethylpyrazol-4-amine has a molecular weight of 221.35 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylbutyl)-1,3,5-trimethylpyrazol-4-amine is sourced from PubChem (CID 115927532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).