1-methyl-N-(6-methylhept-5-en-2-yl)pyrazol-3-amine

C12H21N3 — CID 115729376

IUPAC1-methyl-N-(6-methylhept-5-en-2-yl)pyrazol-3-amine
SMILESCC(C)=CCCC(C)Nc1ccn(C)n1
InChIInChI=1S/C12H21N3/c1-10(2)6-5-7-11(3)13-12-8-9-15(4)14-12/h6,8-9,11H,5,7H2,1-4H3,(H,13,14)
InChIKeyRTGSFSUEZLZSIW-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.97
Rot. Bonds5

About 1-methyl-N-(6-methylhept-5-en-2-yl)pyrazol-3-amine

1-methyl-N-(6-methylhept-5-en-2-yl)pyrazol-3-amine (PubChem CID 115729376) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-methyl-N-(6-methylhept-5-en-2-yl)pyrazol-3-amine.

Molecular Properties

Compound Name1-methyl-N-(6-methylhept-5-en-2-yl)pyrazol-3-amine
PubChem CID115729376
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-methyl-N-(6-methylhept-5-en-2-yl)pyrazol-3-amine
SMILESCC(C)=CCCC(C)Nc1ccn(C)n1
InChIInChI=1S/C12H21N3/c1-10(2)6-5-7-11(3)13-12-8-9-15(4)14-12/h6,8-9,11H,5,7H2,1-4H3,(H,13,14)
InChIKeyRTGSFSUEZLZSIW-UHFFFAOYSA-N
XLogP2.97
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-1-methyl-1H-pyrazol-3-amine
CID 60809330
1-(Pentan-2-yl)-1H-pyrazol-5-amine
CID 20115629
N-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-N'-(1-methyl-1H-pyrazol-5-yl)urea
CID 74232495
1-(2,2-difluoroethyl)-N-pentan-3-ylpyrazol-3-amine
CID 75483532
1-methyl-N-[1-(3-methylbutyl)pyrazol-3-yl]piperidin-4-amine
CID 75483546
1-[5-(Trifluoromethyl)cyclohexa-2,4-dien-1-yl]pyrazol-3-amine
CID 66588278
N-[1-(2-ethenyl-3-fluorohex-2-enyl)pyrazol-3-yl]methanethioamide
CID 90864428
1-(2,2-difluoroethyl)-N-propan-2-ylpyrazol-3-amine
CID 115921015
1-(3-fluoro-4-propan-2-ylcyclohexa-1,5-dien-1-yl)-N-methylpyrazol-3-amine
CID 135232912
N-tert-butyl-1-(2-fluoroethyl)pyrazol-3-amine
CID 141673159
4-ethyl-2-N-(1-ethylpyrazol-3-yl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine
CID 151167383
4-ethyl-2-N-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine
CID 153928373

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(6-methylhept-5-en-2-yl)pyrazol-3-amine?
The IUPAC name of 1-methyl-N-(6-methylhept-5-en-2-yl)pyrazol-3-amine (CID 115729376) is 1-methyl-N-(6-methylhept-5-en-2-yl)pyrazol-3-amine.
What is the SMILES notation for 1-methyl-N-(6-methylhept-5-en-2-yl)pyrazol-3-amine?
The canonical SMILES for 1-methyl-N-(6-methylhept-5-en-2-yl)pyrazol-3-amine is CC(C)=CCCC(C)Nc1ccn(C)n1.
What is the InChIKey of 1-methyl-N-(6-methylhept-5-en-2-yl)pyrazol-3-amine?
The InChIKey is RTGSFSUEZLZSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-10(2)6-5-7-11(3)13-12-8-9-15(4)14-12/h6,8-9,11H,5,7H2,1-4H3,(H,13,14).
What are the key properties of 1-methyl-N-(6-methylhept-5-en-2-yl)pyrazol-3-amine?
1-methyl-N-(6-methylhept-5-en-2-yl)pyrazol-3-amine has a molecular weight of 207.32 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(6-methylhept-5-en-2-yl)pyrazol-3-amine is sourced from PubChem (CID 115729376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).