N-(3,3-dimethylbutan-2-yl)-1-ethylpyrazol-4-amine

C11H21N3 — CID 115922661

IUPACN-(3,3-dimethylbutan-2-yl)-1-ethylpyrazol-4-amine
SMILESCCn1cc(NC(C)C(C)(C)C)cn1
InChIInChI=1S/C11H21N3/c1-6-14-8-10(7-12-14)13-9(2)11(3,4)5/h7-9,13H,6H2,1-5H3
InChIKeyFZWVZBZDFPYVLU-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.75
Rot. Bonds3

About N-(3,3-dimethylbutan-2-yl)-1-ethylpyrazol-4-amine

N-(3,3-dimethylbutan-2-yl)-1-ethylpyrazol-4-amine (PubChem CID 115922661) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-1-ethylpyrazol-4-amine.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-1-ethylpyrazol-4-amine
PubChem CID115922661
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC NameN-(3,3-dimethylbutan-2-yl)-1-ethylpyrazol-4-amine
SMILESCCn1cc(NC(C)C(C)(C)C)cn1
InChIInChI=1S/C11H21N3/c1-6-14-8-10(7-12-14)13-9(2)11(3,4)5/h7-9,13H,6H2,1-5H3
InChIKeyFZWVZBZDFPYVLU-UHFFFAOYSA-N
XLogP2.75
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-N-(4-methoxy-4-methylpentan-2-yl)pyrazol-4-amine
CID 43543286
2-[4-(3,3-dimethylbutan-2-ylamino)pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide
CID 110017445
N,1-diethylpyrazol-4-amine
CID 43543394
1-ethyl-N-(1-methoxy-4-methylpentan-3-yl)pyrazol-4-amine
CID 115922676
1-ethyl-N-(2-methylpentyl)pyrazol-4-amine
CID 43543330
2-[(1-ethylpyrazol-4-yl)amino]butanoic acid
CID 115352400
1-ethyl-N-[1-(4-fluorophenyl)propan-2-yl]pyrazol-4-amine
CID 115922678
N-[1-(3,4-dimethylphenyl)ethyl]-1-ethylpyrazol-4-amine
CID 43543382
4-[1-[(1-ethylpyrazol-4-yl)amino]ethyl]benzonitrile
CID 43543489
1-ethyl-N-(1-pyrrolidin-2-ylpropan-2-yl)pyrazol-4-amine
CID 79540648
3-[(1-benzylpyrazol-4-yl)amino]-2-methylbutan-2-ol
CID 65337518
N-(1-ethylpyrazol-4-yl)-3-methyl-2-sulfanylbutanamide
CID 107022932

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-1-ethylpyrazol-4-amine?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-1-ethylpyrazol-4-amine (CID 115922661) is N-(3,3-dimethylbutan-2-yl)-1-ethylpyrazol-4-amine.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-1-ethylpyrazol-4-amine?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-1-ethylpyrazol-4-amine is CCn1cc(NC(C)C(C)(C)C)cn1.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-1-ethylpyrazol-4-amine?
The InChIKey is FZWVZBZDFPYVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-6-14-8-10(7-12-14)13-9(2)11(3,4)5/h7-9,13H,6H2,1-5H3.
What are the key properties of N-(3,3-dimethylbutan-2-yl)-1-ethylpyrazol-4-amine?
N-(3,3-dimethylbutan-2-yl)-1-ethylpyrazol-4-amine has a molecular weight of 195.31 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-1-ethylpyrazol-4-amine is sourced from PubChem (CID 115922661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).