N-[(4-chloro-3-methoxyphenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine

C15H20ClN3O — CID 105164640

IUPACN-[(4-chloro-3-methoxyphenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Cl)c(OC)c1)c1ccnn1C
InChIInChI=1S/C15H20ClN3O/c1-4-8-17-15(13-7-9-18-19(13)2)11-5-6-12(16)14(10-11)20-3/h5-7,9-10,15,17H,4,8H2,1-3H3
InChIKeyNQBMOWFFULELKG-UHFFFAOYSA-N
MW293.80 g/mol
LogP3.17
Rot. Bonds6

About N-[(4-chloro-3-methoxyphenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine

N-[(4-chloro-3-methoxyphenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine (PubChem CID 105164640) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is N-[(4-chloro-3-methoxyphenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-chloro-3-methoxyphenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
PubChem CID105164640
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC NameN-[(4-chloro-3-methoxyphenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Cl)c(OC)c1)c1ccnn1C
InChIInChI=1S/C15H20ClN3O/c1-4-8-17-15(13-7-9-18-19(13)2)11-5-6-12(16)14(10-11)20-3/h5-7,9-10,15,17H,4,8H2,1-3H3
InChIKeyNQBMOWFFULELKG-UHFFFAOYSA-N
XLogP3.17
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-bromo-4-methoxyphenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 115858444
N-[(4-chloro-2-methoxyphenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 115858611
N-[(4-fluorophenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 63961802
N-[(3-chloro-5-methylphenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 115858459
N-[(4-chloro-3-methoxyphenyl)-pyrimidin-4-ylmethyl]propan-1-amine
CID 79698289
N-[(5-bromo-2-chlorophenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 115858618
N-[(3-bromo-4-chlorophenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 113337176
N-[(4-chloro-3-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]propan-1-amine
CID 105047098
N-[(4-chloro-3-methoxyphenyl)-(2-methylphenyl)methyl]propan-1-amine
CID 79700808
N-[(2-chloro-4-methylphenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 106857639
N-[(2-bromofuran-3-yl)-(4-chloro-3-methoxyphenyl)methyl]propan-1-amine
CID 106858080
N-[(4-chloro-3-methoxyphenyl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine
CID 105164514

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-3-methoxyphenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(4-chloro-3-methoxyphenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine (CID 105164640) is N-[(4-chloro-3-methoxyphenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-chloro-3-methoxyphenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-chloro-3-methoxyphenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine is CCCNC(c1ccc(Cl)c(OC)c1)c1ccnn1C.
What is the InChIKey of N-[(4-chloro-3-methoxyphenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine?
The InChIKey is NQBMOWFFULELKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-4-8-17-15(13-7-9-18-19(13)2)11-5-6-12(16)14(10-11)20-3/h5-7,9-10,15,17H,4,8H2,1-3H3.
What are the key properties of N-[(4-chloro-3-methoxyphenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine?
N-[(4-chloro-3-methoxyphenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine has a molecular weight of 293.80 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-3-methoxyphenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 105164640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).