1-(4-chloro-1-propylpyrazol-5-yl)-2-methoxyethanamine

C9H16ClN3O — CID 114648638

IUPAC1-(4-chloro-1-propylpyrazol-5-yl)-2-methoxyethanamine
SMILESCCCn1ncc(Cl)c1C(N)COC
InChIInChI=1S/C9H16ClN3O/c1-3-4-13-9(7(10)5-12-13)8(11)6-14-2/h5,8H,3-4,6,11H2,1-2H3
InChIKeyJBHKSILUKLDVNN-UHFFFAOYSA-N
MW217.70 g/mol
LogP1.59
Rot. Bonds5

About 1-(4-chloro-1-propylpyrazol-5-yl)-2-methoxyethanamine

1-(4-chloro-1-propylpyrazol-5-yl)-2-methoxyethanamine (PubChem CID 114648638) has the molecular formula C9H16ClN3O and a molecular weight of 217.70 g/mol. Its IUPAC name is 1-(4-chloro-1-propylpyrazol-5-yl)-2-methoxyethanamine.

Molecular Properties

Compound Name1-(4-chloro-1-propylpyrazol-5-yl)-2-methoxyethanamine
PubChem CID114648638
Molecular FormulaC9H16ClN3O
Molecular Weight217.70 g/mol
Exact Mass217.10
IUPAC Name1-(4-chloro-1-propylpyrazol-5-yl)-2-methoxyethanamine
SMILESCCCn1ncc(Cl)c1C(N)COC
InChIInChI=1S/C9H16ClN3O/c1-3-4-13-9(7(10)5-12-13)8(11)6-14-2/h5,8H,3-4,6,11H2,1-2H3
InChIKeyJBHKSILUKLDVNN-UHFFFAOYSA-N
XLogP1.59
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.70
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]decan-1-amine
CID 105054591
1-(4-chloro-1-propylpyrazol-5-yl)decan-1-amine
CID 105042639
1-(4-chloro-1-propylpyrazol-5-yl)-2-(4-methylphenyl)ethanamine
CID 114649334
[1-(4-chloro-1-propylpyrazol-5-yl)-2,2-dimethoxyethyl]hydrazine
CID 105245955
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2,6-dichlorophenyl)ethanamine
CID 114649068
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(4-fluorophenyl)ethanamine
CID 114646675
1-(4-chloro-1-propylpyrazol-5-yl)-2-methylpentan-1-amine
CID 105042585
1-(4-chloro-1-propylpyrazol-5-yl)-2-(3-ethoxycyclobutyl)ethanamine
CID 103169577
1-(4-chloro-1-propylpyrazol-5-yl)-3-(2-methoxyethoxy)propan-1-ol
CID 102927699
2-(2-chlorophenyl)sulfanyl-1-(4-chloro-1-propylpyrazol-5-yl)ethanamine
CID 114656223
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-methoxypentan-1-amine
CID 114661136
2-methoxy-1-(2-propylpyrazol-3-yl)ethanamine
CID 63974690

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-propylpyrazol-5-yl)-2-methoxyethanamine?
The IUPAC name of 1-(4-chloro-1-propylpyrazol-5-yl)-2-methoxyethanamine (CID 114648638) is 1-(4-chloro-1-propylpyrazol-5-yl)-2-methoxyethanamine.
What is the SMILES notation for 1-(4-chloro-1-propylpyrazol-5-yl)-2-methoxyethanamine?
The canonical SMILES for 1-(4-chloro-1-propylpyrazol-5-yl)-2-methoxyethanamine is CCCn1ncc(Cl)c1C(N)COC.
What is the InChIKey of 1-(4-chloro-1-propylpyrazol-5-yl)-2-methoxyethanamine?
The InChIKey is JBHKSILUKLDVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClN3O/c1-3-4-13-9(7(10)5-12-13)8(11)6-14-2/h5,8H,3-4,6,11H2,1-2H3.
What are the key properties of 1-(4-chloro-1-propylpyrazol-5-yl)-2-methoxyethanamine?
1-(4-chloro-1-propylpyrazol-5-yl)-2-methoxyethanamine has a molecular weight of 217.70 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-propylpyrazol-5-yl)-2-methoxyethanamine is sourced from PubChem (CID 114648638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).