1-(4-chloro-1-propylpyrazol-5-yl)-2-methylpentan-1-amine

C12H22ClN3 — CID 105042585

IUPAC1-(4-chloro-1-propylpyrazol-5-yl)-2-methylpentan-1-amine
SMILESCCCC(C)C(N)c1c(Cl)cnn1CCC
InChIInChI=1S/C12H22ClN3/c1-4-6-9(3)11(14)12-10(13)8-15-16(12)7-5-2/h8-9,11H,4-7,14H2,1-3H3
InChIKeyZHYFCIDMELCHIL-UHFFFAOYSA-N
MW243.78 g/mol
LogP3.38
Rot. Bonds6

About 1-(4-chloro-1-propylpyrazol-5-yl)-2-methylpentan-1-amine

1-(4-chloro-1-propylpyrazol-5-yl)-2-methylpentan-1-amine (PubChem CID 105042585) 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)-2-methylpentan-1-amine.

Molecular Properties

Compound Name1-(4-chloro-1-propylpyrazol-5-yl)-2-methylpentan-1-amine
PubChem CID105042585
Molecular FormulaC12H22ClN3
Molecular Weight243.78 g/mol
Exact Mass243.15
IUPAC Name1-(4-chloro-1-propylpyrazol-5-yl)-2-methylpentan-1-amine
SMILESCCCC(C)C(N)c1c(Cl)cnn1CCC
InChIInChI=1S/C12H22ClN3/c1-4-6-9(3)11(14)12-10(13)8-15-16(12)7-5-2/h8-9,11H,4-7,14H2,1-3H3
InChIKeyZHYFCIDMELCHIL-UHFFFAOYSA-N
XLogP3.38
TPSA43.84 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 ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-chloro-1-propylpyrazol-5-yl)-2-methylpentyl]hydrazine
CID 105337196
1-(4-chloro-1-propylpyrazol-5-yl)decan-1-amine
CID 105042639
1-(4-chloro-1-propylpyrazol-5-yl)propane-1,2-diol
CID 103452617
1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-2-propylpentan-1-amine
CID 105042462
1-(4-chloro-1-propylpyrazol-5-yl)-2-methoxyethanamine
CID 114648638
1-(4-chloro-1-propylpyrazol-5-yl)-N,2-dimethylbutan-1-amine
CID 114651693
1-(4-chloro-1-propylpyrazol-5-yl)hexylhydrazine
CID 105337103
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-methoxypentan-1-amine
CID 114661136
1-(4-chloro-1-propylpyrazol-5-yl)-2-ethyl-2-N,2-N-dimethylbutane-1,2-diamine
CID 114656882
[1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-methylpentyl]hydrazine
CID 105342381
1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclopropyl-2-ethoxyethanamine
CID 114661347
1-(4-chloro-1-propylpyrazol-5-yl)-N,2-dipropylpentan-1-amine
CID 105042520

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-propylpyrazol-5-yl)-2-methylpentan-1-amine?
The IUPAC name of 1-(4-chloro-1-propylpyrazol-5-yl)-2-methylpentan-1-amine (CID 105042585) is 1-(4-chloro-1-propylpyrazol-5-yl)-2-methylpentan-1-amine.
What is the SMILES notation for 1-(4-chloro-1-propylpyrazol-5-yl)-2-methylpentan-1-amine?
The canonical SMILES for 1-(4-chloro-1-propylpyrazol-5-yl)-2-methylpentan-1-amine is CCCC(C)C(N)c1c(Cl)cnn1CCC.
What is the InChIKey of 1-(4-chloro-1-propylpyrazol-5-yl)-2-methylpentan-1-amine?
The InChIKey is ZHYFCIDMELCHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClN3/c1-4-6-9(3)11(14)12-10(13)8-15-16(12)7-5-2/h8-9,11H,4-7,14H2,1-3H3.
What are the key properties of 1-(4-chloro-1-propylpyrazol-5-yl)-2-methylpentan-1-amine?
1-(4-chloro-1-propylpyrazol-5-yl)-2-methylpentan-1-amine has a molecular weight of 243.78 g/mol, XLogP of 3.38, 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)-2-methylpentan-1-amine is sourced from PubChem (CID 105042585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).