(E)-4-(2-propylpyrazol-3-yl)but-3-en-2-amine

C10H17N3 — CID 103091534

IUPAC(E)-4-(2-propylpyrazol-3-yl)but-3-en-2-amine
SMILESCCCn1nccc1/C=C/C(C)N
InChIInChI=1S/C10H17N3/c1-3-8-13-10(6-7-12-13)5-4-9(2)11/h4-7,9H,3,8,11H2,1-2H3/b5-4+
InChIKeyIKOGSZWXFBGFJE-SNAWJCMRSA-N
MW179.27 g/mol
LogP1.65
Rot. Bonds4

About (E)-4-(2-propylpyrazol-3-yl)but-3-en-2-amine

(E)-4-(2-propylpyrazol-3-yl)but-3-en-2-amine (PubChem CID 103091534) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is (E)-4-(2-propylpyrazol-3-yl)but-3-en-2-amine.

Molecular Properties

Compound Name(E)-4-(2-propylpyrazol-3-yl)but-3-en-2-amine
PubChem CID103091534
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name(E)-4-(2-propylpyrazol-3-yl)but-3-en-2-amine
SMILESCCCn1nccc1/C=C/C(C)N
InChIInChI=1S/C10H17N3/c1-3-8-13-10(6-7-12-13)5-4-9(2)11/h4-7,9H,3,8,11H2,1-2H3/b5-4+
InChIKeyIKOGSZWXFBGFJE-SNAWJCMRSA-N
XLogP1.65
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-3-(2-propylpyrazol-3-yl)prop-2-en-1-ol
CID 114558225
5-(4-chlorobut-1-enyl)-1-propylpyrazole
CID 79602926
(E)-4-(2-ethylpyrazol-3-yl)but-3-en-2-ol
CID 114558316
5-[(E)-2-(chloromethyl)-3-methylbut-1-enyl]-1-propylpyrazole
CID 114558231
N-[(E)-3-(2-propylpyrazol-3-yl)prop-2-enyl]cyclopropanamine
CID 114558274
2-[(E)-(2-propylpyrazol-3-yl)methylideneamino]guanidine
CID 114558063
2-amino-1-(2-propylpyrazol-3-yl)propan-1-one
CID 116551709
5-[(Z)-3-bromo-2-methylprop-1-enyl]-1-propylpyrazole
CID 114558242
2-amino-1-(2-propylpyrazol-3-yl)propane-1,3-diol
CID 114558108
2,2-dimethyl-1-(2-propylpyrazol-3-yl)propan-1-amine
CID 63975935
3-amino-2-methyl-1-(2-propylpyrazol-3-yl)butan-1-one
CID 116612216
(E)-3-(2-ethylpyrazol-3-yl)prop-2-en-1-amine
CID 114557615

Frequently Asked Questions

What is the IUPAC name of (E)-4-(2-propylpyrazol-3-yl)but-3-en-2-amine?
The IUPAC name of (E)-4-(2-propylpyrazol-3-yl)but-3-en-2-amine (CID 103091534) is (E)-4-(2-propylpyrazol-3-yl)but-3-en-2-amine.
What is the SMILES notation for (E)-4-(2-propylpyrazol-3-yl)but-3-en-2-amine?
The canonical SMILES for (E)-4-(2-propylpyrazol-3-yl)but-3-en-2-amine is CCCn1nccc1/C=C/C(C)N.
What is the InChIKey of (E)-4-(2-propylpyrazol-3-yl)but-3-en-2-amine?
The InChIKey is IKOGSZWXFBGFJE-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H17N3/c1-3-8-13-10(6-7-12-13)5-4-9(2)11/h4-7,9H,3,8,11H2,1-2H3/b5-4+.
What are the key properties of (E)-4-(2-propylpyrazol-3-yl)but-3-en-2-amine?
(E)-4-(2-propylpyrazol-3-yl)but-3-en-2-amine has a molecular weight of 179.27 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(2-propylpyrazol-3-yl)but-3-en-2-amine is sourced from PubChem (CID 103091534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).