1-(4-chloro-1-ethylpyrazol-5-yl)-4-methylpentan-1-amine

C11H20ClN3 — CID 114648699

IUPAC1-(4-chloro-1-ethylpyrazol-5-yl)-4-methylpentan-1-amine
SMILESCCn1ncc(Cl)c1C(N)CCC(C)C
InChIInChI=1S/C11H20ClN3/c1-4-15-11(9(12)7-14-15)10(13)6-5-8(2)3/h7-8,10H,4-6,13H2,1-3H3
InChIKeyAUXDFZMMBRMLCJ-UHFFFAOYSA-N
MW229.75 g/mol
LogP2.99
Rot. Bonds5

About 1-(4-chloro-1-ethylpyrazol-5-yl)-4-methylpentan-1-amine

1-(4-chloro-1-ethylpyrazol-5-yl)-4-methylpentan-1-amine (PubChem CID 114648699) has the molecular formula C11H20ClN3 and a molecular weight of 229.75 g/mol. Its IUPAC name is 1-(4-chloro-1-ethylpyrazol-5-yl)-4-methylpentan-1-amine.

Molecular Properties

Compound Name1-(4-chloro-1-ethylpyrazol-5-yl)-4-methylpentan-1-amine
PubChem CID114648699
Molecular FormulaC11H20ClN3
Molecular Weight229.75 g/mol
Exact Mass229.13
IUPAC Name1-(4-chloro-1-ethylpyrazol-5-yl)-4-methylpentan-1-amine
SMILESCCn1ncc(Cl)c1C(N)CCC(C)C
InChIInChI=1S/C11H20ClN3/c1-4-15-11(9(12)7-14-15)10(13)6-5-8(2)3/h7-8,10H,4-6,13H2,1-3H3
InChIKeyAUXDFZMMBRMLCJ-UHFFFAOYSA-N
XLogP2.99
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.75
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-1-ethylpyrazol-5-yl)-3-methoxybutan-1-amine
CID 114660378
(4-chloro-1-ethylpyrazol-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 105040745
(4-chloro-1-ethylpyrazol-5-yl)-(1-methylcyclopropyl)methanamine
CID 114658531
1-(4-chloro-1-ethylpyrazol-5-yl)-2-methoxy-3-methylbutan-1-amine
CID 114661186
1-(4-chloro-1-propylpyrazol-5-yl)decan-1-amine
CID 105042639
1-(2-ethylpyrazol-3-yl)-4-methylpentan-1-amine
CID 63975113
1-(4-chloro-1-ethylpyrazol-5-yl)-N,2,3-trimethylbutan-1-amine
CID 105040619
1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3,4-dimethylphenyl)ethanamine
CID 114650151
1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2-chloro-6-fluorophenyl)ethanamine
CID 114650316
1-(4-chloro-1-ethylpyrazol-5-yl)-N-methyl-2-propylpentan-1-amine
CID 105040502
(4-chloro-1-ethylpyrazol-5-yl)-(1-methoxycyclobutyl)methanamine
CID 114660910
(4-chloro-1-ethylpyrazol-5-yl)-(1-methoxycyclopentyl)methanamine
CID 114660625

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-ethylpyrazol-5-yl)-4-methylpentan-1-amine?
The IUPAC name of 1-(4-chloro-1-ethylpyrazol-5-yl)-4-methylpentan-1-amine (CID 114648699) is 1-(4-chloro-1-ethylpyrazol-5-yl)-4-methylpentan-1-amine.
What is the SMILES notation for 1-(4-chloro-1-ethylpyrazol-5-yl)-4-methylpentan-1-amine?
The canonical SMILES for 1-(4-chloro-1-ethylpyrazol-5-yl)-4-methylpentan-1-amine is CCn1ncc(Cl)c1C(N)CCC(C)C.
What is the InChIKey of 1-(4-chloro-1-ethylpyrazol-5-yl)-4-methylpentan-1-amine?
The InChIKey is AUXDFZMMBRMLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClN3/c1-4-15-11(9(12)7-14-15)10(13)6-5-8(2)3/h7-8,10H,4-6,13H2,1-3H3.
What are the key properties of 1-(4-chloro-1-ethylpyrazol-5-yl)-4-methylpentan-1-amine?
1-(4-chloro-1-ethylpyrazol-5-yl)-4-methylpentan-1-amine has a molecular weight of 229.75 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-ethylpyrazol-5-yl)-4-methylpentan-1-amine is sourced from PubChem (CID 114648699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).