2,5-dimethyl-N-(3-methylbut-2-en-2-yl)pyrazol-3-amine

C10H17N3 — CID 20703482

IUPAC2,5-dimethyl-N-(3-methylbut-2-en-2-yl)pyrazol-3-amine
SMILESCC(C)=C(C)Nc1cc(C)nn1C
InChIInChI=1S/C10H17N3/c1-7(2)9(4)11-10-6-8(3)12-13(10)5/h6,11H,1-5H3
InChIKeyQDTHAQSQRPFCQM-UHFFFAOYSA-N
MW179.27 g/mol
LogP2.45
Rot. Bonds2

About 2,5-dimethyl-N-(3-methylbut-2-en-2-yl)pyrazol-3-amine

2,5-dimethyl-N-(3-methylbut-2-en-2-yl)pyrazol-3-amine (PubChem CID 20703482) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 2,5-dimethyl-N-(3-methylbut-2-en-2-yl)pyrazol-3-amine.

Molecular Properties

Compound Name2,5-dimethyl-N-(3-methylbut-2-en-2-yl)pyrazol-3-amine
PubChem CID20703482
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name2,5-dimethyl-N-(3-methylbut-2-en-2-yl)pyrazol-3-amine
SMILESCC(C)=C(C)Nc1cc(C)nn1C
InChIInChI=1S/C10H17N3/c1-7(2)9(4)11-10-6-8(3)12-13(10)5/h6,11H,1-5H3
InChIKeyQDTHAQSQRPFCQM-UHFFFAOYSA-N
XLogP2.45
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dimethylpyrazol-3-yl)-2-(ethylamino)acetamide
CID 60703413
N-(2,5-dimethylpyrazol-3-yl)-2-hydroxypropanamide
CID 130679371
acetyl acetate;N-(2,5-dimethylpyrazol-3-yl)acetamide;N-hydroperoxyhydroxylamine
CID 90910356
1-(2,5-dimethylpyrazol-3-yl)-3-propan-2-ylurea
CID 115581839
2-chloro-N-(2,5-dimethylpyrazol-3-yl)propanamide
CID 43180348
3-N,5-N-bis(2,5-dimethylpyrazol-3-yl)-1-methylpyrazole-3,5-dicarboxamide
CID 29097376
N-(2,5-dimethylpyrazol-3-yl)-2-ethoxypropanamide
CID 60555284
1-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)urea
CID 115581841
1-(2,5-dimethylpyrazol-3-yl)-3-propylurea
CID 115581840
4-tert-butyl-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 10038843
2-(4-acetylpiperazin-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 36800103
N-(2,5-dimethylpyrazol-3-yl)-2,2-diphenylacetamide
CID 42109659

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(3-methylbut-2-en-2-yl)pyrazol-3-amine?
The IUPAC name of 2,5-dimethyl-N-(3-methylbut-2-en-2-yl)pyrazol-3-amine (CID 20703482) is 2,5-dimethyl-N-(3-methylbut-2-en-2-yl)pyrazol-3-amine.
What is the SMILES notation for 2,5-dimethyl-N-(3-methylbut-2-en-2-yl)pyrazol-3-amine?
The canonical SMILES for 2,5-dimethyl-N-(3-methylbut-2-en-2-yl)pyrazol-3-amine is CC(C)=C(C)Nc1cc(C)nn1C.
What is the InChIKey of 2,5-dimethyl-N-(3-methylbut-2-en-2-yl)pyrazol-3-amine?
The InChIKey is QDTHAQSQRPFCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-7(2)9(4)11-10-6-8(3)12-13(10)5/h6,11H,1-5H3.
What are the key properties of 2,5-dimethyl-N-(3-methylbut-2-en-2-yl)pyrazol-3-amine?
2,5-dimethyl-N-(3-methylbut-2-en-2-yl)pyrazol-3-amine has a molecular weight of 179.27 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(3-methylbut-2-en-2-yl)pyrazol-3-amine is sourced from PubChem (CID 20703482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).