1-(4-chloro-1-propylpyrazol-5-yl)-N,2-dimethylbutan-1-amine

C12H22ClN3 — CID 114651693

IUPAC1-(4-chloro-1-propylpyrazol-5-yl)-N,2-dimethylbutan-1-amine
SMILESCCCn1ncc(Cl)c1C(NC)C(C)CC
InChIInChI=1S/C12H22ClN3/c1-5-7-16-12(10(13)8-15-16)11(14-4)9(3)6-2/h8-9,11,14H,5-7H2,1-4H3
InChIKeyRUBMBHSMEZZKLA-UHFFFAOYSA-N
MW243.78 g/mol
LogP3.25
Rot. Bonds6

About 1-(4-chloro-1-propylpyrazol-5-yl)-N,2-dimethylbutan-1-amine

1-(4-chloro-1-propylpyrazol-5-yl)-N,2-dimethylbutan-1-amine (PubChem CID 114651693) has the molecular formula C12H22ClN3 and a molecular weight of 243.78 g/mol. Its IUPAC name is 1-(4-chloro-1-propylpyrazol-5-yl)-N,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(4-chloro-1-propylpyrazol-5-yl)-N,2-dimethylbutan-1-amine
PubChem CID114651693
Molecular FormulaC12H22ClN3
Molecular Weight243.78 g/mol
Exact Mass243.15
IUPAC Name1-(4-chloro-1-propylpyrazol-5-yl)-N,2-dimethylbutan-1-amine
SMILESCCCn1ncc(Cl)c1C(NC)C(C)CC
InChIInChI=1S/C12H22ClN3/c1-5-7-16-12(10(13)8-15-16)11(14-4)9(3)6-2/h8-9,11,14H,5-7H2,1-4H3
InChIKeyRUBMBHSMEZZKLA-UHFFFAOYSA-N
XLogP3.25
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.78
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-1-propylpyrazol-5-yl)-N,2-dimethylbutan-1-amine
CID 114651699
1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-2-propylpentan-1-amine
CID 105042462
[1-(4-chloro-1-propylpyrazol-5-yl)-2-methylpentyl]hydrazine
CID 105337196
1-(4-chloro-1-propylpyrazol-5-yl)-2-ethyl-2-methoxy-N-methylbutan-1-amine
CID 114661709
1-(4-chloro-1-ethylpyrazol-5-yl)-N,2,3-trimethylbutan-1-amine
CID 105040619
[1-(4-chloro-1-propylpyrazol-5-yl)-2,2-dimethoxyethyl]hydrazine
CID 105245955
1-(4-chloro-1-propylpyrazol-5-yl)-2-ethoxy-N-propylpropan-1-amine
CID 114652910
1-(4-chloro-1-propylpyrazol-5-yl)propane-1,2-diol
CID 103452617
1-(4-chloro-1-propylpyrazol-5-yl)-2-methylpentan-1-amine
CID 105042585
1-(4-chloro-1-ethylpyrazol-5-yl)-N-methyl-2-propylpentan-1-amine
CID 105040502
1-(4-chloro-1-propylpyrazol-5-yl)-N-methylbut-3-en-1-amine
CID 114660818
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethyl-N-methylhexan-1-amine
CID 105054531

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-propylpyrazol-5-yl)-N,2-dimethylbutan-1-amine?
The IUPAC name of 1-(4-chloro-1-propylpyrazol-5-yl)-N,2-dimethylbutan-1-amine (CID 114651693) is 1-(4-chloro-1-propylpyrazol-5-yl)-N,2-dimethylbutan-1-amine.
What is the SMILES notation for 1-(4-chloro-1-propylpyrazol-5-yl)-N,2-dimethylbutan-1-amine?
The canonical SMILES for 1-(4-chloro-1-propylpyrazol-5-yl)-N,2-dimethylbutan-1-amine is CCCn1ncc(Cl)c1C(NC)C(C)CC.
What is the InChIKey of 1-(4-chloro-1-propylpyrazol-5-yl)-N,2-dimethylbutan-1-amine?
The InChIKey is RUBMBHSMEZZKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClN3/c1-5-7-16-12(10(13)8-15-16)11(14-4)9(3)6-2/h8-9,11,14H,5-7H2,1-4H3.
What are the key properties of 1-(4-chloro-1-propylpyrazol-5-yl)-N,2-dimethylbutan-1-amine?
1-(4-chloro-1-propylpyrazol-5-yl)-N,2-dimethylbutan-1-amine has a molecular weight of 243.78 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-propylpyrazol-5-yl)-N,2-dimethylbutan-1-amine is sourced from PubChem (CID 114651693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).