N-[(4-chloro-1-propylpyrazol-5-yl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine

C15H22ClN3OS — CID 105042627

IUPACN-[(4-chloro-1-propylpyrazol-5-yl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(OC)cs1)c1c(Cl)cnn1CCC
InChIInChI=1S/C15H22ClN3OS/c1-4-6-17-14(13-8-11(20-3)10-21-13)15-12(16)9-18-19(15)7-5-2/h8-10,14,17H,4-7H2,1-3H3
InChIKeyFUNOTEBKVJQXBG-UHFFFAOYSA-N
MW327.88 g/mol
LogP4.11
Rot. Bonds8

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

N-[(4-chloro-1-propylpyrazol-5-yl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine (PubChem CID 105042627) has the molecular formula C15H22ClN3OS and a molecular weight of 327.88 g/mol. Its IUPAC name is N-[(4-chloro-1-propylpyrazol-5-yl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-chloro-1-propylpyrazol-5-yl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine
PubChem CID105042627
Molecular FormulaC15H22ClN3OS
Molecular Weight327.88 g/mol
Exact Mass327.12
IUPAC NameN-[(4-chloro-1-propylpyrazol-5-yl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(OC)cs1)c1c(Cl)cnn1CCC
InChIInChI=1S/C15H22ClN3OS/c1-4-6-17-14(13-8-11(20-3)10-21-13)15-12(16)9-18-19(15)7-5-2/h8-10,14,17H,4-7H2,1-3H3
InChIKeyFUNOTEBKVJQXBG-UHFFFAOYSA-N
XLogP4.11
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.88
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(4-chloro-1-propylpyrazol-5-yl)-(4-methoxythiophen-2-yl)methyl]hydrazine
CID 105337261
N-[(4-chloro-1-propylpyrazol-5-yl)-(1,3-thiazol-5-yl)methyl]propan-1-amine
CID 114658631
N-[(1-ethylpyrazol-4-yl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine
CID 115816052
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-methoxythiophen-2-yl)methanol
CID 115839360
2-[5-[amino-(4-methoxythiophen-2-yl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 105039133
N-[(2-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]propan-1-amine
CID 114649324
N-[(3-chloro-4-methoxyphenyl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine
CID 81121964
N-[(4-bromothiophen-2-yl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]propan-1-amine
CID 114652806
N-[(4-chloro-1-propylpyrazol-5-yl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine
CID 106755877
N-[(4-chloro-1-propylpyrazol-5-yl)-(3-chloro-2-pyridinyl)methyl]propan-1-amine
CID 103444702
N-[(4-chloro-1-propylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methyl]ethanamine
CID 105042817
N-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 105190004

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-propylpyrazol-5-yl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(4-chloro-1-propylpyrazol-5-yl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine (CID 105042627) is N-[(4-chloro-1-propylpyrazol-5-yl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-chloro-1-propylpyrazol-5-yl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-chloro-1-propylpyrazol-5-yl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine is CCCNC(c1cc(OC)cs1)c1c(Cl)cnn1CCC.
What is the InChIKey of N-[(4-chloro-1-propylpyrazol-5-yl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine?
The InChIKey is FUNOTEBKVJQXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3OS/c1-4-6-17-14(13-8-11(20-3)10-21-13)15-12(16)9-18-19(15)7-5-2/h8-10,14,17H,4-7H2,1-3H3.
What are the key properties of N-[(4-chloro-1-propylpyrazol-5-yl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine?
N-[(4-chloro-1-propylpyrazol-5-yl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine has a molecular weight of 327.88 g/mol, XLogP of 4.11, 8 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)-(4-methoxythiophen-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 105042627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).