3-(4-chloropyrazol-1-yl)-N-ethyl-2-methylbutan-1-amine

C10H18ClN3 — CID 81018676

IUPAC3-(4-chloropyrazol-1-yl)-N-ethyl-2-methylbutan-1-amine
SMILESCCNCC(C)C(C)n1cc(Cl)cn1
InChIInChI=1S/C10H18ClN3/c1-4-12-5-8(2)9(3)14-7-10(11)6-13-14/h6-9,12H,4-5H2,1-3H3
InChIKeyHDIHXOMRHFXPLQ-UHFFFAOYSA-N
MW215.73 g/mol
LogP2.34
Rot. Bonds5

About 3-(4-chloropyrazol-1-yl)-N-ethyl-2-methylbutan-1-amine

3-(4-chloropyrazol-1-yl)-N-ethyl-2-methylbutan-1-amine (PubChem CID 81018676) has the molecular formula C10H18ClN3 and a molecular weight of 215.73 g/mol. Its IUPAC name is 3-(4-chloropyrazol-1-yl)-N-ethyl-2-methylbutan-1-amine.

Molecular Properties

Compound Name3-(4-chloropyrazol-1-yl)-N-ethyl-2-methylbutan-1-amine
PubChem CID81018676
Molecular FormulaC10H18ClN3
Molecular Weight215.73 g/mol
Exact Mass215.12
IUPAC Name3-(4-chloropyrazol-1-yl)-N-ethyl-2-methylbutan-1-amine
SMILESCCNCC(C)C(C)n1cc(Cl)cn1
InChIInChI=1S/C10H18ClN3/c1-4-12-5-8(2)9(3)14-7-10(11)6-13-14/h6-9,12H,4-5H2,1-3H3
InChIKeyHDIHXOMRHFXPLQ-UHFFFAOYSA-N
XLogP2.34
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.73
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chloro-3-methylpyrazol-1-yl)-N-ethyl-2-methylbutan-1-amine
CID 81019736
2-(4-chloropyrazol-1-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 62440768
ethyl 2-amino-3-(4-chloropyrazol-1-yl)butanoate
CID 165485934
2-(4-chloropyrazol-1-yl)butan-1-amine
CID 25248254
N-ethyl-2-methyl-3-(3-methylpyrazol-1-yl)butan-1-amine
CID 81019389
N-ethyl-3-methyl-2-(4-methylpyrazol-1-yl)butan-1-amine
CID 62447059
4-iodo-1-(3-methylpentan-2-yl)pyrazole
CID 130748253
(2S)-2-(4-chloropyrazol-1-yl)propanoic acid
CID 7026118
(2R)-2-(4-chloropyrazol-1-yl)butanoic acid
CID 7017286
3-(4-chloropyrazol-1-yl)butan-2-one
CID 61036179
1-(3-methylpentan-2-yl)pyrazol-4-ol
CID 131054166
2-(4-chloropyrazol-1-yl)-N-(2-sulfanylethyl)propanamide
CID 19538486

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloropyrazol-1-yl)-N-ethyl-2-methylbutan-1-amine?
The IUPAC name of 3-(4-chloropyrazol-1-yl)-N-ethyl-2-methylbutan-1-amine (CID 81018676) is 3-(4-chloropyrazol-1-yl)-N-ethyl-2-methylbutan-1-amine.
What is the SMILES notation for 3-(4-chloropyrazol-1-yl)-N-ethyl-2-methylbutan-1-amine?
The canonical SMILES for 3-(4-chloropyrazol-1-yl)-N-ethyl-2-methylbutan-1-amine is CCNCC(C)C(C)n1cc(Cl)cn1.
What is the InChIKey of 3-(4-chloropyrazol-1-yl)-N-ethyl-2-methylbutan-1-amine?
The InChIKey is HDIHXOMRHFXPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN3/c1-4-12-5-8(2)9(3)14-7-10(11)6-13-14/h6-9,12H,4-5H2,1-3H3.
What are the key properties of 3-(4-chloropyrazol-1-yl)-N-ethyl-2-methylbutan-1-amine?
3-(4-chloropyrazol-1-yl)-N-ethyl-2-methylbutan-1-amine has a molecular weight of 215.73 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloropyrazol-1-yl)-N-ethyl-2-methylbutan-1-amine is sourced from PubChem (CID 81018676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).