1-(4-chloro-1-ethylpyrazol-5-yl)-N,2,3-trimethylbutan-1-amine

C12H22ClN3 — CID 105040619

IUPAC1-(4-chloro-1-ethylpyrazol-5-yl)-N,2,3-trimethylbutan-1-amine
SMILESCCn1ncc(Cl)c1C(NC)C(C)C(C)C
InChIInChI=1S/C12H22ClN3/c1-6-16-12(10(13)7-15-16)11(14-5)9(4)8(2)3/h7-9,11,14H,6H2,1-5H3
InChIKeyUJZVBDWVKDMBSG-UHFFFAOYSA-N
MW243.78 g/mol
LogP3.11
Rot. Bonds5

About 1-(4-chloro-1-ethylpyrazol-5-yl)-N,2,3-trimethylbutan-1-amine

1-(4-chloro-1-ethylpyrazol-5-yl)-N,2,3-trimethylbutan-1-amine (PubChem CID 105040619) has the molecular formula C12H22ClN3 and a molecular weight of 243.78 g/mol. Its IUPAC name is 1-(4-chloro-1-ethylpyrazol-5-yl)-N,2,3-trimethylbutan-1-amine.

Molecular Properties

Compound Name1-(4-chloro-1-ethylpyrazol-5-yl)-N,2,3-trimethylbutan-1-amine
PubChem CID105040619
Molecular FormulaC12H22ClN3
Molecular Weight243.78 g/mol
Exact Mass243.15
IUPAC Name1-(4-chloro-1-ethylpyrazol-5-yl)-N,2,3-trimethylbutan-1-amine
SMILESCCn1ncc(Cl)c1C(NC)C(C)C(C)C
InChIInChI=1S/C12H22ClN3/c1-6-16-12(10(13)7-15-16)11(14-5)9(4)8(2)3/h7-9,11,14H,6H2,1-5H3
InChIKeyUJZVBDWVKDMBSG-UHFFFAOYSA-N
XLogP3.11
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.78
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-1-ethylpyrazol-5-yl)-N-methyl-2-propylpentan-1-amine
CID 105040502
1-(4-chloro-1-propylpyrazol-5-yl)-N,2-dimethylbutan-1-amine
CID 114651693
1-(4-chloro-1-ethylpyrazol-5-yl)-1-(4-chlorophenyl)-N-methylmethanamine
CID 114646347
1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-2-propylpentan-1-amine
CID 105042462
1-(4-chloro-1-ethylpyrazol-5-yl)-4-methylpentan-1-amine
CID 114648699
1-(4-chloro-1-ethylpyrazol-5-yl)-1-(furan-2-yl)-N-methylmethanamine
CID 114649702
1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,4-dichlorophenyl)-N-methylethanamine
CID 114647656
1-(4-chloro-1-ethylpyrazol-5-yl)-3-ethoxy-N-methylpropan-1-amine
CID 105183166
1-(4-chloro-1-ethylpyrazol-5-yl)-2-N,2-N,2-triethyl-1-N-methylbutane-1,2-diamine
CID 114656930
1-(4-chloro-1-ethylpyrazol-5-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine
CID 105040912
1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2-fluorophenyl)-N-methylethanamine
CID 114648608
1-(2-bromofuran-3-yl)-1-(4-chloro-1-ethylpyrazol-5-yl)-N-methylmethanamine
CID 106858624

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-ethylpyrazol-5-yl)-N,2,3-trimethylbutan-1-amine?
The IUPAC name of 1-(4-chloro-1-ethylpyrazol-5-yl)-N,2,3-trimethylbutan-1-amine (CID 105040619) is 1-(4-chloro-1-ethylpyrazol-5-yl)-N,2,3-trimethylbutan-1-amine.
What is the SMILES notation for 1-(4-chloro-1-ethylpyrazol-5-yl)-N,2,3-trimethylbutan-1-amine?
The canonical SMILES for 1-(4-chloro-1-ethylpyrazol-5-yl)-N,2,3-trimethylbutan-1-amine is CCn1ncc(Cl)c1C(NC)C(C)C(C)C.
What is the InChIKey of 1-(4-chloro-1-ethylpyrazol-5-yl)-N,2,3-trimethylbutan-1-amine?
The InChIKey is UJZVBDWVKDMBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClN3/c1-6-16-12(10(13)7-15-16)11(14-5)9(4)8(2)3/h7-9,11,14H,6H2,1-5H3.
What are the key properties of 1-(4-chloro-1-ethylpyrazol-5-yl)-N,2,3-trimethylbutan-1-amine?
1-(4-chloro-1-ethylpyrazol-5-yl)-N,2,3-trimethylbutan-1-amine has a molecular weight of 243.78 g/mol, XLogP of 3.11, 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)-N,2,3-trimethylbutan-1-amine is sourced from PubChem (CID 105040619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).