N-[(4-chloro-1-propylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methyl]ethanamine

C14H20ClN3OS — CID 105042817

IUPACN-[(4-chloro-1-propylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methyl]ethanamine
SMILESCCCn1ncc(Cl)c1C(NCC)c1sccc1OC
InChIInChI=1S/C14H20ClN3OS/c1-4-7-18-13(10(15)9-17-18)12(16-5-2)14-11(19-3)6-8-20-14/h6,8-9,12,16H,4-5,7H2,1-3H3
InChIKeyIWDGEGMTHFYDGH-UHFFFAOYSA-N
MW313.85 g/mol
LogP3.72
Rot. Bonds7

About N-[(4-chloro-1-propylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methyl]ethanamine

N-[(4-chloro-1-propylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methyl]ethanamine (PubChem CID 105042817) has the molecular formula C14H20ClN3OS and a molecular weight of 313.85 g/mol. Its IUPAC name is N-[(4-chloro-1-propylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-chloro-1-propylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methyl]ethanamine
PubChem CID105042817
Molecular FormulaC14H20ClN3OS
Molecular Weight313.85 g/mol
Exact Mass313.10
IUPAC NameN-[(4-chloro-1-propylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methyl]ethanamine
SMILESCCCn1ncc(Cl)c1C(NCC)c1sccc1OC
InChIInChI=1S/C14H20ClN3OS/c1-4-7-18-13(10(15)9-17-18)12(16-5-2)14-11(19-3)6-8-20-14/h6,8-9,12,16H,4-5,7H2,1-3H3
InChIKeyIWDGEGMTHFYDGH-UHFFFAOYSA-N
XLogP3.72
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.85
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-bromothiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]ethanamine
CID 105048861
N-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine
CID 105041706
2-[4-chloro-5-[ethylamino-(3-methylthiophen-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105038996
(4-methoxy-1-propylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methanol
CID 115837711
N-[(5-bromofuran-2-yl)-(4-chloro-1-propylpyrazol-5-yl)methyl]ethanamine
CID 105042736
N-[(5-bromothiophen-2-yl)-(4-chloro-1-propylpyrazol-5-yl)methyl]ethanamine
CID 114652684
N-[(4-chloro-1-propylpyrazol-5-yl)-pyridazin-4-ylmethyl]ethanamine
CID 105184021
N-[(4-chloro-3-methoxyphenyl)-(3-methoxythiophen-2-yl)methyl]ethanamine
CID 105007145
N-[(4-chloro-1-propylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methyl]ethanamine
CID 107969129
1-(3-bromothiophen-2-yl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 105048698
N-[(2,3-dichlorophenyl)-(3-methoxythiophen-2-yl)methyl]ethanamine
CID 115851457
N-[(4-chloro-1-propylpyrazol-5-yl)-(2-methylfuran-3-yl)methyl]ethanamine
CID 114660712

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-propylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methyl]ethanamine?
The IUPAC name of N-[(4-chloro-1-propylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methyl]ethanamine (CID 105042817) is N-[(4-chloro-1-propylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-chloro-1-propylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-chloro-1-propylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methyl]ethanamine is CCCn1ncc(Cl)c1C(NCC)c1sccc1OC.
What is the InChIKey of N-[(4-chloro-1-propylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methyl]ethanamine?
The InChIKey is IWDGEGMTHFYDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3OS/c1-4-7-18-13(10(15)9-17-18)12(16-5-2)14-11(19-3)6-8-20-14/h6,8-9,12,16H,4-5,7H2,1-3H3.
What are the key properties of N-[(4-chloro-1-propylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methyl]ethanamine?
N-[(4-chloro-1-propylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methyl]ethanamine has a molecular weight of 313.85 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-propylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 105042817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).