(Z)-3-(2-ethylpyrazol-3-yl)-2-methylprop-2-en-1-amine

C9H15N3 — CID 114558250

IUPAC(Z)-3-(2-ethylpyrazol-3-yl)-2-methylprop-2-en-1-amine
SMILESCCn1nccc1/C=C(/C)CN
InChIInChI=1S/C9H15N3/c1-3-12-9(4-5-11-12)6-8(2)7-10/h4-6H,3,7,10H2,1-2H3/b8-6-
InChIKeyUSHNBBOHWXOOAX-VURMDHGXSA-N
MW165.24 g/mol
LogP1.26
Rot. Bonds3

About (Z)-3-(2-ethylpyrazol-3-yl)-2-methylprop-2-en-1-amine

(Z)-3-(2-ethylpyrazol-3-yl)-2-methylprop-2-en-1-amine (PubChem CID 114558250) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is (Z)-3-(2-ethylpyrazol-3-yl)-2-methylprop-2-en-1-amine.

Molecular Properties

Compound Name(Z)-3-(2-ethylpyrazol-3-yl)-2-methylprop-2-en-1-amine
PubChem CID114558250
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name(Z)-3-(2-ethylpyrazol-3-yl)-2-methylprop-2-en-1-amine
SMILESCCn1nccc1/C=C(/C)CN
InChIInChI=1S/C9H15N3/c1-3-12-9(4-5-11-12)6-8(2)7-10/h4-6H,3,7,10H2,1-2H3/b8-6-
InChIKeyUSHNBBOHWXOOAX-VURMDHGXSA-N
XLogP1.26
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(Z)-4-(2-ethylpyrazol-3-yl)-3-methylbut-3-en-2-amine
CID 103091900
(Z)-3-(2-ethylpyrazol-3-yl)-2-methyl-N-propan-2-ylprop-2-en-1-amine
CID 114558286
(Z)-4-(2-ethylpyrazol-3-yl)-3-methylbut-3-en-2-one
CID 103090911
ethyl 3-(2-ethylpyrazol-3-yl)-2-methylprop-2-enoate
CID 104939504
(E)-3-(2-ethylpyrazol-3-yl)prop-2-en-1-amine
CID 114557615
5-[(Z)-3-bromo-2-methylprop-1-enyl]-1-propylpyrazole
CID 114558242
2-ethylpyrazole-3-carbaldehyde
CID 7009534
4-(2-ethylpyrazol-3-yl)-3-methyl-N-propylbut-3-en-2-amine
CID 103093737
4-(2-ethylpyrazol-3-yl)pent-3-en-1-amine
CID 79592012
(E)-1,3-bis(2-ethylpyrazol-3-yl)prop-2-en-1-one
CID 19553223
(E)-4-(2-ethylpyrazol-3-yl)but-3-en-2-ol
CID 114558316
1-(2-ethylpyrazol-3-yl)ethenamine
CID 178160278

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2-ethylpyrazol-3-yl)-2-methylprop-2-en-1-amine?
The IUPAC name of (Z)-3-(2-ethylpyrazol-3-yl)-2-methylprop-2-en-1-amine (CID 114558250) is (Z)-3-(2-ethylpyrazol-3-yl)-2-methylprop-2-en-1-amine.
What is the SMILES notation for (Z)-3-(2-ethylpyrazol-3-yl)-2-methylprop-2-en-1-amine?
The canonical SMILES for (Z)-3-(2-ethylpyrazol-3-yl)-2-methylprop-2-en-1-amine is CCn1nccc1/C=C(/C)CN.
What is the InChIKey of (Z)-3-(2-ethylpyrazol-3-yl)-2-methylprop-2-en-1-amine?
The InChIKey is USHNBBOHWXOOAX-VURMDHGXSA-N. The full InChI is InChI=1S/C9H15N3/c1-3-12-9(4-5-11-12)6-8(2)7-10/h4-6H,3,7,10H2,1-2H3/b8-6-.
What are the key properties of (Z)-3-(2-ethylpyrazol-3-yl)-2-methylprop-2-en-1-amine?
(Z)-3-(2-ethylpyrazol-3-yl)-2-methylprop-2-en-1-amine has a molecular weight of 165.24 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2-ethylpyrazol-3-yl)-2-methylprop-2-en-1-amine is sourced from PubChem (CID 114558250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).