1-[(Z)-but-1-enyl]-N,N,4-trimethylpyrazol-5-amine;ethane

C12H23N3 — CID 144888680

IUPAC1-[(Z)-but-1-enyl]-N,N,4-trimethylpyrazol-5-amine;ethane
SMILESCC.CC/C=C\n1ncc(C)c1N(C)C
InChIInChI=1S/C10H17N3.C2H6/c1-5-6-7-13-10(12(3)4)9(2)8-11-13;1-2/h6-8H,5H2,1-4H3;1-2H3/b7-6-;
InChIKeyWUHIOWZDKLOWMW-NAFXZHHSSA-N
MW209.34 g/mol
LogP3.16
Rot. Bonds3

About 1-[(Z)-but-1-enyl]-N,N,4-trimethylpyrazol-5-amine;ethane

1-[(Z)-but-1-enyl]-N,N,4-trimethylpyrazol-5-amine;ethane (PubChem CID 144888680) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 1-[(Z)-but-1-enyl]-N,N,4-trimethylpyrazol-5-amine;ethane.

Molecular Properties

Compound Name1-[(Z)-but-1-enyl]-N,N,4-trimethylpyrazol-5-amine;ethane
PubChem CID144888680
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name1-[(Z)-but-1-enyl]-N,N,4-trimethylpyrazol-5-amine;ethane
SMILESCC.CC/C=C\n1ncc(C)c1N(C)C
InChIInChI=1S/C10H17N3.C2H6/c1-5-6-7-13-10(12(3)4)9(2)8-11-13;1-2/h6-8H,5H2,1-4H3;1-2H3/b7-6-;
InChIKeyWUHIOWZDKLOWMW-NAFXZHHSSA-N
XLogP3.16
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(4-cyano-1-methyl-1H-pyrazol-5-yl)-N,N-dimethyliminoformamide
CID 9581717
1,4-Dimethyl-1H-pyrazol-5-amine
CID 12847948
N'-(2-ethylpyrazol-3-yl)-N,N-dimethylmethanimidamide
CID 10855859
(E)-N'-(4-cyano-1-methyl-1H-pyrazol-5-yl)-N,N-dimethylmethanimidamide
CID 2766343
1,2,6,8-Tetrazatricyclo[6.3.1.04,12]dodeca-2,4(12),6,10-tetraene
CID 23127919
N-tert-butyl-2-ethyl-N-methylpyrazol-3-amine
CID 59485528
CID 60079195
CID 60079195
4-Methyl-1-prop-2-enylpyrazol-5-amine
CID 70487045
N,N,1-Trimethyl-1H-pyrazol-5-amine
CID 70700698
N'-(2-ethylpyrazol-3-yl)-N,N-dimethylmethanimidamide
CID 85290638
N-ethenyl-1-ethyl-4-(methyliminomethyl)pyrazol-5-amine
CID 90437472
(Z)-N-(1,4-dimethylpyrazol-5-yl)prop-2-en-1-imine
CID 117609518

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-but-1-enyl]-N,N,4-trimethylpyrazol-5-amine;ethane?
The IUPAC name of 1-[(Z)-but-1-enyl]-N,N,4-trimethylpyrazol-5-amine;ethane (CID 144888680) is 1-[(Z)-but-1-enyl]-N,N,4-trimethylpyrazol-5-amine;ethane.
What is the SMILES notation for 1-[(Z)-but-1-enyl]-N,N,4-trimethylpyrazol-5-amine;ethane?
The canonical SMILES for 1-[(Z)-but-1-enyl]-N,N,4-trimethylpyrazol-5-amine;ethane is CC.CC/C=C\n1ncc(C)c1N(C)C.
What is the InChIKey of 1-[(Z)-but-1-enyl]-N,N,4-trimethylpyrazol-5-amine;ethane?
The InChIKey is WUHIOWZDKLOWMW-NAFXZHHSSA-N. The full InChI is InChI=1S/C10H17N3.C2H6/c1-5-6-7-13-10(12(3)4)9(2)8-11-13;1-2/h6-8H,5H2,1-4H3;1-2H3/b7-6-;.
What are the key properties of 1-[(Z)-but-1-enyl]-N,N,4-trimethylpyrazol-5-amine;ethane?
1-[(Z)-but-1-enyl]-N,N,4-trimethylpyrazol-5-amine;ethane has a molecular weight of 209.34 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-but-1-enyl]-N,N,4-trimethylpyrazol-5-amine;ethane is sourced from PubChem (CID 144888680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).