(E)-4-(4-bromo-1-propylpyrazol-5-yl)but-3-en-1-amine

C10H16BrN3 — CID 114666176

IUPAC(E)-4-(4-bromo-1-propylpyrazol-5-yl)but-3-en-1-amine
SMILESCCCn1ncc(Br)c1/C=C/CCN
InChIInChI=1S/C10H16BrN3/c1-2-7-14-10(5-3-4-6-12)9(11)8-13-14/h3,5,8H,2,4,6-7,12H2,1H3/b5-3+
InChIKeyJYOPHLXDNLNVMO-HWKANZROSA-N
MW258.16 g/mol
LogP2.42
Rot. Bonds5

About (E)-4-(4-bromo-1-propylpyrazol-5-yl)but-3-en-1-amine

(E)-4-(4-bromo-1-propylpyrazol-5-yl)but-3-en-1-amine (PubChem CID 114666176) has the molecular formula C10H16BrN3 and a molecular weight of 258.16 g/mol. Its IUPAC name is (E)-4-(4-bromo-1-propylpyrazol-5-yl)but-3-en-1-amine.

Molecular Properties

Compound Name(E)-4-(4-bromo-1-propylpyrazol-5-yl)but-3-en-1-amine
PubChem CID114666176
Molecular FormulaC10H16BrN3
Molecular Weight258.16 g/mol
Exact Mass257.05
IUPAC Name(E)-4-(4-bromo-1-propylpyrazol-5-yl)but-3-en-1-amine
SMILESCCCn1ncc(Br)c1/C=C/CCN
InChIInChI=1S/C10H16BrN3/c1-2-7-14-10(5-3-4-6-12)9(11)8-13-14/h3,5,8H,2,4,6-7,12H2,1H3/b5-3+
InChIKeyJYOPHLXDNLNVMO-HWKANZROSA-N
XLogP2.42
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1E,3E)-3-bromo-1-fluoropenta-1,3-dienyl]-1,5-dimethylpyrazole
CID 145062948
3-(4-bromo-3-methyl-1H-pyrazol-1-yl)propan-1-amine
CID 7019308
1,5-bis[(Z)-prop-1-enyl]pyrazole
CID 89248773
5-[(E)-2-(4-bromo-1-methylpyrazol-3-yl)ethenyl]-1-methyl-2H-pyridine
CID 90289500
4-bromo-1-methyl-3-[(E)-prop-1-enyl]pyrazole
CID 118504020
5-[(Z)-but-1-enyl]-1-[(Z)-prop-1-enyl]pyrazole
CID 126761718
1-ethyl-5-[(1Z,3Z)-2-ethylpenta-1,3-dienyl]pyrazol-4-amine
CID 130292707
(1E)-1-(2-ethenylpyrazol-3-yl)buta-1,3-dien-2-amine
CID 131982931
4-[(E)-1-bromoprop-1-enyl]-5-ethenyl-1-methylpyrazole
CID 134494961
1-ethenyl-5-[(Z)-prop-1-enyl]pyrazole
CID 138482489
4-Bromo-3-ethenyl-1-methylpyrazole
CID 139460961
2-[(2-Methylpyrazol-3-yl)methylidene]piperidine;hydrochloride
CID 141119293

Frequently Asked Questions

What is the IUPAC name of (E)-4-(4-bromo-1-propylpyrazol-5-yl)but-3-en-1-amine?
The IUPAC name of (E)-4-(4-bromo-1-propylpyrazol-5-yl)but-3-en-1-amine (CID 114666176) is (E)-4-(4-bromo-1-propylpyrazol-5-yl)but-3-en-1-amine.
What is the SMILES notation for (E)-4-(4-bromo-1-propylpyrazol-5-yl)but-3-en-1-amine?
The canonical SMILES for (E)-4-(4-bromo-1-propylpyrazol-5-yl)but-3-en-1-amine is CCCn1ncc(Br)c1/C=C/CCN.
What is the InChIKey of (E)-4-(4-bromo-1-propylpyrazol-5-yl)but-3-en-1-amine?
The InChIKey is JYOPHLXDNLNVMO-HWKANZROSA-N. The full InChI is InChI=1S/C10H16BrN3/c1-2-7-14-10(5-3-4-6-12)9(11)8-13-14/h3,5,8H,2,4,6-7,12H2,1H3/b5-3+.
What are the key properties of (E)-4-(4-bromo-1-propylpyrazol-5-yl)but-3-en-1-amine?
(E)-4-(4-bromo-1-propylpyrazol-5-yl)but-3-en-1-amine has a molecular weight of 258.16 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(4-bromo-1-propylpyrazol-5-yl)but-3-en-1-amine is sourced from PubChem (CID 114666176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).