1-(4-chloro-1-propylpyrazol-5-yl)-1-(4-ethoxyphenyl)-N-methylmethanamine

C16H22ClN3O — CID 105042630

IUPAC1-(4-chloro-1-propylpyrazol-5-yl)-1-(4-ethoxyphenyl)-N-methylmethanamine
SMILESCCCn1ncc(Cl)c1C(NC)c1ccc(OCC)cc1
InChIInChI=1S/C16H22ClN3O/c1-4-10-20-16(14(17)11-19-20)15(18-3)12-6-8-13(9-7-12)21-5-2/h6-9,11,15,18H,4-5,10H2,1-3H3
InChIKeyCTCFQCDYSVKPAV-UHFFFAOYSA-N
MW307.83 g/mol
LogP3.65
Rot. Bonds7

About 1-(4-chloro-1-propylpyrazol-5-yl)-1-(4-ethoxyphenyl)-N-methylmethanamine

1-(4-chloro-1-propylpyrazol-5-yl)-1-(4-ethoxyphenyl)-N-methylmethanamine (PubChem CID 105042630) has the molecular formula C16H22ClN3O and a molecular weight of 307.83 g/mol. Its IUPAC name is 1-(4-chloro-1-propylpyrazol-5-yl)-1-(4-ethoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-chloro-1-propylpyrazol-5-yl)-1-(4-ethoxyphenyl)-N-methylmethanamine
PubChem CID105042630
Molecular FormulaC16H22ClN3O
Molecular Weight307.83 g/mol
Exact Mass307.15
IUPAC Name1-(4-chloro-1-propylpyrazol-5-yl)-1-(4-ethoxyphenyl)-N-methylmethanamine
SMILESCCCn1ncc(Cl)c1C(NC)c1ccc(OCC)cc1
InChIInChI=1S/C16H22ClN3O/c1-4-10-20-16(14(17)11-19-20)15(18-3)12-6-8-13(9-7-12)21-5-2/h6-9,11,15,18H,4-5,10H2,1-3H3
InChIKeyCTCFQCDYSVKPAV-UHFFFAOYSA-N
XLogP3.65
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.83
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloro-1-propylpyrazol-5-yl)-(4-ethoxyphenyl)methanol
CID 114634063
1-(3-chloro-4-iodophenyl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 103216306
1-(4-chloro-1-propylpyrazol-5-yl)-1-(4-ethylsulfanylphenyl)-N-methylmethanamine
CID 106848796
1-(4-chloro-1-propylpyrazol-5-yl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine
CID 105042594
1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-1-(2-methyl-3-pyridinyl)methanamine
CID 105184016
1-(4-chlorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 114646357
N-[(4-chloro-1-methylpyrazol-5-yl)-(4-ethoxyphenyl)methyl]ethanamine
CID 105046393
1-(4-chloro-1-ethylpyrazol-5-yl)-1-(4-chlorophenyl)-N-methylmethanamine
CID 114646347
1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 114660695
[(4-chloro-1-propylpyrazol-5-yl)-(4-propan-2-ylphenyl)methyl]hydrazine
CID 105194048
1-(4-chloro-1-propylpyrazol-5-yl)-1-(furan-2-yl)-N-methylmethanamine
CID 114649703
1-(3-bromo-2-pyridinyl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 114660548

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-propylpyrazol-5-yl)-1-(4-ethoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-chloro-1-propylpyrazol-5-yl)-1-(4-ethoxyphenyl)-N-methylmethanamine (CID 105042630) is 1-(4-chloro-1-propylpyrazol-5-yl)-1-(4-ethoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-chloro-1-propylpyrazol-5-yl)-1-(4-ethoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-chloro-1-propylpyrazol-5-yl)-1-(4-ethoxyphenyl)-N-methylmethanamine is CCCn1ncc(Cl)c1C(NC)c1ccc(OCC)cc1.
What is the InChIKey of 1-(4-chloro-1-propylpyrazol-5-yl)-1-(4-ethoxyphenyl)-N-methylmethanamine?
The InChIKey is CTCFQCDYSVKPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O/c1-4-10-20-16(14(17)11-19-20)15(18-3)12-6-8-13(9-7-12)21-5-2/h6-9,11,15,18H,4-5,10H2,1-3H3.
What are the key properties of 1-(4-chloro-1-propylpyrazol-5-yl)-1-(4-ethoxyphenyl)-N-methylmethanamine?
1-(4-chloro-1-propylpyrazol-5-yl)-1-(4-ethoxyphenyl)-N-methylmethanamine has a molecular weight of 307.83 g/mol, XLogP of 3.65, 7 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)-1-(4-ethoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 105042630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).