N-(3-ethylheptyl)-2-methylpyrazol-3-amine

C13H25N3 — CID 115885793

IUPACN-(3-ethylheptyl)-2-methylpyrazol-3-amine
SMILESCCCCC(CC)CCNc1ccnn1C
InChIInChI=1S/C13H25N3/c1-4-6-7-12(5-2)8-10-14-13-9-11-15-16(13)3/h9,11-12,14H,4-8,10H2,1-3H3
InChIKeyMEMHRHYGIYYJDN-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.44
Rot. Bonds8

About N-(3-ethylheptyl)-2-methylpyrazol-3-amine

N-(3-ethylheptyl)-2-methylpyrazol-3-amine (PubChem CID 115885793) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is N-(3-ethylheptyl)-2-methylpyrazol-3-amine.

Molecular Properties

Compound NameN-(3-ethylheptyl)-2-methylpyrazol-3-amine
PubChem CID115885793
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC NameN-(3-ethylheptyl)-2-methylpyrazol-3-amine
SMILESCCCCC(CC)CCNc1ccnn1C
InChIInChI=1S/C13H25N3/c1-4-6-7-12(5-2)8-10-14-13-9-11-15-16(13)3/h9,11-12,14H,4-8,10H2,1-3H3
InChIKeyMEMHRHYGIYYJDN-UHFFFAOYSA-N
XLogP3.44
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(2-methylpyrazol-3-yl)propane-1,3-diamine
CID 63963092
N-heptan-2-yl-2-methylpyrazol-3-amine
CID 115921288
1-ethyl-3-(2-ethylhexyl)-2-[(2-methylpyrazol-3-yl)methyl]guanidine
CID 111127565
N-[2-(2-methylpyrazol-3-yl)ethyl]heptan-3-amine
CID 104695096
N-(1-methoxyhexan-2-yl)-2-methylpyrazol-3-amine
CID 115921274
2-ethyl-4-(2-methylpyrazol-3-yl)-N-propylbutan-1-amine
CID 103014342
1-(2-methylpyrazol-3-yl)-N-propylpentan-1-amine
CID 79411759
N-(2-ethylbutyl)-2-propylpyrazol-3-amine
CID 115924285
N'-(2-methylpyrazol-3-yl)-N-prop-2-enylethane-1,2-diamine
CID 103542644
[2-ethyl-1-(2-methylpyrazol-3-yl)hexyl]hydrazine
CID 105307424
5-(3-butylheptan-2-yl)-1-methylpyrazole
CID 151974382
2-N-ethyl-2-methyl-1-N-(2-methylpyrazol-3-yl)propane-1,2-diamine
CID 103542740

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylheptyl)-2-methylpyrazol-3-amine?
The IUPAC name of N-(3-ethylheptyl)-2-methylpyrazol-3-amine (CID 115885793) is N-(3-ethylheptyl)-2-methylpyrazol-3-amine.
What is the SMILES notation for N-(3-ethylheptyl)-2-methylpyrazol-3-amine?
The canonical SMILES for N-(3-ethylheptyl)-2-methylpyrazol-3-amine is CCCCC(CC)CCNc1ccnn1C.
What is the InChIKey of N-(3-ethylheptyl)-2-methylpyrazol-3-amine?
The InChIKey is MEMHRHYGIYYJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-4-6-7-12(5-2)8-10-14-13-9-11-15-16(13)3/h9,11-12,14H,4-8,10H2,1-3H3.
What are the key properties of N-(3-ethylheptyl)-2-methylpyrazol-3-amine?
N-(3-ethylheptyl)-2-methylpyrazol-3-amine has a molecular weight of 223.36 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylheptyl)-2-methylpyrazol-3-amine is sourced from PubChem (CID 115885793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).