3-(4-chloro-1-methylpyrazol-5-yl)-N-ethylbutan-2-amine

C10H18ClN3 — CID 114662988

IUPAC3-(4-chloro-1-methylpyrazol-5-yl)-N-ethylbutan-2-amine
SMILESCCNC(C)C(C)c1c(Cl)cnn1C
InChIInChI=1S/C10H18ClN3/c1-5-12-8(3)7(2)10-9(11)6-13-14(10)4/h6-8,12H,5H2,1-4H3
InChIKeyNKSFOZYFKBVTCF-UHFFFAOYSA-N
MW215.73 g/mol
LogP2.17
Rot. Bonds4

About 3-(4-chloro-1-methylpyrazol-5-yl)-N-ethylbutan-2-amine

3-(4-chloro-1-methylpyrazol-5-yl)-N-ethylbutan-2-amine (PubChem CID 114662988) has the molecular formula C10H18ClN3 and a molecular weight of 215.73 g/mol. Its IUPAC name is 3-(4-chloro-1-methylpyrazol-5-yl)-N-ethylbutan-2-amine.

Molecular Properties

Compound Name3-(4-chloro-1-methylpyrazol-5-yl)-N-ethylbutan-2-amine
PubChem CID114662988
Molecular FormulaC10H18ClN3
Molecular Weight215.73 g/mol
Exact Mass215.12
IUPAC Name3-(4-chloro-1-methylpyrazol-5-yl)-N-ethylbutan-2-amine
SMILESCCNC(C)C(C)c1c(Cl)cnn1C
InChIInChI=1S/C10H18ClN3/c1-5-12-8(3)7(2)10-9(11)6-13-14(10)4/h6-8,12H,5H2,1-4H3
InChIKeyNKSFOZYFKBVTCF-UHFFFAOYSA-N
XLogP2.17
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.73
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-1-methylpyrazol-5-yl)-N-ethylhexan-1-amine
CID 105046403
1-(4-chloro-1-methylpyrazol-5-yl)-2-ethoxy-N-ethylethanamine
CID 114655981
1-(4-chloro-1-methylpyrazol-5-yl)-2-ethoxy-N-ethyl-3-methylbutan-1-amine
CID 114661268
1-(4-chloro-1-methylpyrazol-5-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine
CID 114658003
N-[(4-chloro-1-methylpyrazol-5-yl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 105046319
N-[(4-chloro-1-methylpyrazol-5-yl)-(3,4,5-trifluorophenyl)methyl]ethanamine
CID 114648823
N-[(4-chloro-1-methylpyrazol-5-yl)-cyclohexylmethyl]ethanamine
CID 114647881
1-(4-chloro-1-methylpyrazol-5-yl)-N-ethyl-2-(4-fluorophenyl)-2-methylpropan-1-amine
CID 114653139
1-(4-chloro-1-methylpyrazol-5-yl)-2-(propan-2-ylamino)ethanol
CID 114665843
1-(4-chloro-1-methylpyrazol-5-yl)-N-propylpropan-1-amine
CID 114647778
1-(4-chloro-1-methylpyrazol-5-yl)-3-methyl-N-propylbutan-1-amine
CID 114647517
2-(4-chloro-1-methylpyrazol-5-yl)propan-1-amine
CID 83827347

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-1-methylpyrazol-5-yl)-N-ethylbutan-2-amine?
The IUPAC name of 3-(4-chloro-1-methylpyrazol-5-yl)-N-ethylbutan-2-amine (CID 114662988) is 3-(4-chloro-1-methylpyrazol-5-yl)-N-ethylbutan-2-amine.
What is the SMILES notation for 3-(4-chloro-1-methylpyrazol-5-yl)-N-ethylbutan-2-amine?
The canonical SMILES for 3-(4-chloro-1-methylpyrazol-5-yl)-N-ethylbutan-2-amine is CCNC(C)C(C)c1c(Cl)cnn1C.
What is the InChIKey of 3-(4-chloro-1-methylpyrazol-5-yl)-N-ethylbutan-2-amine?
The InChIKey is NKSFOZYFKBVTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN3/c1-5-12-8(3)7(2)10-9(11)6-13-14(10)4/h6-8,12H,5H2,1-4H3.
What are the key properties of 3-(4-chloro-1-methylpyrazol-5-yl)-N-ethylbutan-2-amine?
3-(4-chloro-1-methylpyrazol-5-yl)-N-ethylbutan-2-amine has a molecular weight of 215.73 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-1-methylpyrazol-5-yl)-N-ethylbutan-2-amine is sourced from PubChem (CID 114662988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).