(Z)-3-(1-ethylpyrazol-4-yl)-2-methyl-N-propan-2-ylprop-2-en-1-amine

C12H21N3 — CID 103571031

IUPAC(Z)-3-(1-ethylpyrazol-4-yl)-2-methyl-N-propan-2-ylprop-2-en-1-amine
SMILESCCn1cc(/C=C(/C)CNC(C)C)cn1
InChIInChI=1S/C12H21N3/c1-5-15-9-12(8-14-15)6-11(4)7-13-10(2)3/h6,8-10,13H,5,7H2,1-4H3/b11-6-
InChIKeyRWTSHHVKUVITFH-WDZFZDKYSA-N
MW207.32 g/mol
LogP2.30
Rot. Bonds5

About (Z)-3-(1-ethylpyrazol-4-yl)-2-methyl-N-propan-2-ylprop-2-en-1-amine

(Z)-3-(1-ethylpyrazol-4-yl)-2-methyl-N-propan-2-ylprop-2-en-1-amine (PubChem CID 103571031) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is (Z)-3-(1-ethylpyrazol-4-yl)-2-methyl-N-propan-2-ylprop-2-en-1-amine.

Molecular Properties

Compound Name(Z)-3-(1-ethylpyrazol-4-yl)-2-methyl-N-propan-2-ylprop-2-en-1-amine
PubChem CID103571031
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name(Z)-3-(1-ethylpyrazol-4-yl)-2-methyl-N-propan-2-ylprop-2-en-1-amine
SMILESCCn1cc(/C=C(/C)CNC(C)C)cn1
InChIInChI=1S/C12H21N3/c1-5-15-9-12(8-14-15)6-11(4)7-13-10(2)3/h6,8-10,13H,5,7H2,1-4H3/b11-6-
InChIKeyRWTSHHVKUVITFH-WDZFZDKYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-ethylpyrazol-4-yl)methylidene]-N-propan-2-ylbutan-1-amine
CID 103571010
(E)-2-cyclohexyl-3-(1-ethylpyrazol-4-yl)-N-propan-2-ylprop-2-en-1-amine
CID 103571039
N-ethyl-2-[(1-ethylpyrazol-4-yl)methylidene]-3-methylbutan-1-amine
CID 103571015
(2Z)-N-propan-2-yl-2-[(1-propylpyrazol-4-yl)methylidene]butan-1-amine
CID 103573592
2-[(1-ethylpyrazol-4-yl)methylidene]-N-methylbutan-1-amine
CID 103571007
(Z)-3-(2-ethylpyrazol-3-yl)-2-methyl-N-propan-2-ylprop-2-en-1-amine
CID 114558286
2-methyl-N-propyl-3-(1-propylpyrazol-4-yl)prop-2-en-1-amine
CID 103573610
2-[(1-ethylpyrazol-4-yl)methylidene]butan-1-ol
CID 103570991
2-[(1-ethylpyrazol-4-yl)methylidene]butan-1-amine
CID 103571005
(Z)-N,3-dimethyl-4-(1-propylpyrazol-4-yl)but-3-en-2-amine
CID 103573881
2-methyl-3-(2-methylpyrazol-3-yl)-N-propan-2-ylprop-2-en-1-amine
CID 104939383
2-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine
CID 55082915

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(1-ethylpyrazol-4-yl)-2-methyl-N-propan-2-ylprop-2-en-1-amine?
The IUPAC name of (Z)-3-(1-ethylpyrazol-4-yl)-2-methyl-N-propan-2-ylprop-2-en-1-amine (CID 103571031) is (Z)-3-(1-ethylpyrazol-4-yl)-2-methyl-N-propan-2-ylprop-2-en-1-amine.
What is the SMILES notation for (Z)-3-(1-ethylpyrazol-4-yl)-2-methyl-N-propan-2-ylprop-2-en-1-amine?
The canonical SMILES for (Z)-3-(1-ethylpyrazol-4-yl)-2-methyl-N-propan-2-ylprop-2-en-1-amine is CCn1cc(/C=C(/C)CNC(C)C)cn1.
What is the InChIKey of (Z)-3-(1-ethylpyrazol-4-yl)-2-methyl-N-propan-2-ylprop-2-en-1-amine?
The InChIKey is RWTSHHVKUVITFH-WDZFZDKYSA-N. The full InChI is InChI=1S/C12H21N3/c1-5-15-9-12(8-14-15)6-11(4)7-13-10(2)3/h6,8-10,13H,5,7H2,1-4H3/b11-6-.
What are the key properties of (Z)-3-(1-ethylpyrazol-4-yl)-2-methyl-N-propan-2-ylprop-2-en-1-amine?
(Z)-3-(1-ethylpyrazol-4-yl)-2-methyl-N-propan-2-ylprop-2-en-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(1-ethylpyrazol-4-yl)-2-methyl-N-propan-2-ylprop-2-en-1-amine is sourced from PubChem (CID 103571031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).