N-heptan-4-yl-1,5-dimethylpyrazol-3-amine

C12H23N3 — CID 115922057

IUPACN-heptan-4-yl-1,5-dimethylpyrazol-3-amine
SMILESCCCC(CCC)Nc1cc(C)n(C)n1
InChIInChI=1S/C12H23N3/c1-5-7-11(8-6-2)13-12-9-10(3)15(4)14-12/h9,11H,5-8H2,1-4H3,(H,13,14)
InChIKeyPJSKUIJGNACGSR-UHFFFAOYSA-N
MW209.34 g/mol
LogP3.11
Rot. Bonds6

About N-heptan-4-yl-1,5-dimethylpyrazol-3-amine

N-heptan-4-yl-1,5-dimethylpyrazol-3-amine (PubChem CID 115922057) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is N-heptan-4-yl-1,5-dimethylpyrazol-3-amine.

Molecular Properties

Compound NameN-heptan-4-yl-1,5-dimethylpyrazol-3-amine
PubChem CID115922057
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC NameN-heptan-4-yl-1,5-dimethylpyrazol-3-amine
SMILESCCCC(CCC)Nc1cc(C)n(C)n1
InChIInChI=1S/C12H23N3/c1-5-7-11(8-6-2)13-12-9-10(3)15(4)14-12/h9,11H,5-8H2,1-4H3,(H,13,14)
InChIKeyPJSKUIJGNACGSR-UHFFFAOYSA-N
XLogP3.11
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1,5-dimethylpyrazol-3-yl)amino]propan-1-ol
CID 130502735
N-hex-5-en-2-yl-1,5-dimethylpyrazol-3-amine
CID 104583972
N-(3-methoxybutan-2-yl)-1,5-dimethylpyrazol-3-amine
CID 115922045
1-(1,5-dimethylpyrazol-3-yl)butan-1-amine
CID 82413587
N-(1-cyclobutylethyl)-1,5-dimethylpyrazol-3-amine
CID 130607965
1,5-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrazol-3-amine
CID 115922058
1,5-dimethyl-N-(1-thiophen-2-ylethyl)pyrazol-3-amine
CID 115922060
2-bromo-N-(1,5-dimethylpyrazol-3-yl)butanamide
CID 130496769
6-N-ethyl-2-methyl-4-N-octan-4-ylpyrimidine-4,6-diamine
CID 106028897
(2R)-1-N-(1,5-dimethylpyrazol-3-yl)-3-methylbutane-1,2-diamine
CID 130523879
2-bromo-N-(1,5-dimethylpyrazol-3-yl)acetamide
CID 130496766
1,5-dimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]pyrazol-3-amine
CID 115922073

Frequently Asked Questions

What is the IUPAC name of N-heptan-4-yl-1,5-dimethylpyrazol-3-amine?
The IUPAC name of N-heptan-4-yl-1,5-dimethylpyrazol-3-amine (CID 115922057) is N-heptan-4-yl-1,5-dimethylpyrazol-3-amine.
What is the SMILES notation for N-heptan-4-yl-1,5-dimethylpyrazol-3-amine?
The canonical SMILES for N-heptan-4-yl-1,5-dimethylpyrazol-3-amine is CCCC(CCC)Nc1cc(C)n(C)n1.
What is the InChIKey of N-heptan-4-yl-1,5-dimethylpyrazol-3-amine?
The InChIKey is PJSKUIJGNACGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-5-7-11(8-6-2)13-12-9-10(3)15(4)14-12/h9,11H,5-8H2,1-4H3,(H,13,14).
What are the key properties of N-heptan-4-yl-1,5-dimethylpyrazol-3-amine?
N-heptan-4-yl-1,5-dimethylpyrazol-3-amine has a molecular weight of 209.34 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-4-yl-1,5-dimethylpyrazol-3-amine is sourced from PubChem (CID 115922057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).