(1S)-1-[4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]phenyl]propan-1-amine

C16H22ClN3O — CID 79025747

IUPAC(1S)-1-[4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]phenyl]propan-1-amine
SMILESCC[C@H](N)c1ccc(OCc2c(Cl)c(C)nn2CC)cc1
InChIInChI=1S/C16H22ClN3O/c1-4-14(18)12-6-8-13(9-7-12)21-10-15-16(17)11(3)19-20(15)5-2/h6-9,14H,4-5,10,18H2,1-3H3/t14-/m0/s1
InChIKeySDZQYPVGSNUYSA-AWEZNQCLSA-N
MW307.82 g/mol
LogP3.85
Rot. Bonds6

About (1S)-1-[4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]phenyl]propan-1-amine

(1S)-1-[4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]phenyl]propan-1-amine (PubChem CID 79025747) has the molecular formula C16H22ClN3O and a molecular weight of 307.82 g/mol. Its IUPAC name is (1S)-1-[4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]phenyl]propan-1-amine.

Molecular Properties

Compound Name(1S)-1-[4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]phenyl]propan-1-amine
PubChem CID79025747
Molecular FormulaC16H22ClN3O
Molecular Weight307.82 g/mol
Exact Mass307.15
IUPAC Name(1S)-1-[4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]phenyl]propan-1-amine
SMILESCC[C@H](N)c1ccc(OCc2c(Cl)c(C)nn2CC)cc1
InChIInChI=1S/C16H22ClN3O/c1-4-14(18)12-6-8-13(9-7-12)21-10-15-16(17)11(3)19-20(15)5-2/h6-9,14H,4-5,10,18H2,1-3H3/t14-/m0/s1
InChIKeySDZQYPVGSNUYSA-AWEZNQCLSA-N
XLogP3.85
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S)-1-[4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]phenyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrrol-3-yl]propan-1-amine
CID 79104694
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3,4-dichlorophenyl)ethanamine
CID 81491483
1-[1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]triazol-4-yl]propan-1-amine
CID 106227837
(1S)-1-[5-chloro-2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]phenyl]ethanamine
CID 79025743
1-(4-phenylmethoxyphenyl)propan-1-amine
CID 16795854
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(5-ethylthiophen-2-yl)ethanamine
CID 104998858
(1S)-1-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-1-amine
CID 63367781
1-[1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrrol-3-yl]ethanamine
CID 79103080
N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 66242004
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 104998862
1-[4-[(2-methyltetrazol-5-yl)methoxy]phenyl]propan-1-amine
CID 107041072
(1R)-1-[4-(phenylmethoxymethoxy)phenyl]propan-1-amine
CID 102939494

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]phenyl]propan-1-amine?
The IUPAC name of (1S)-1-[4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]phenyl]propan-1-amine (CID 79025747) is (1S)-1-[4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]phenyl]propan-1-amine.
What is the SMILES notation for (1S)-1-[4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]phenyl]propan-1-amine?
The canonical SMILES for (1S)-1-[4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]phenyl]propan-1-amine is CC[C@H](N)c1ccc(OCc2c(Cl)c(C)nn2CC)cc1.
What is the InChIKey of (1S)-1-[4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]phenyl]propan-1-amine?
The InChIKey is SDZQYPVGSNUYSA-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H22ClN3O/c1-4-14(18)12-6-8-13(9-7-12)21-10-15-16(17)11(3)19-20(15)5-2/h6-9,14H,4-5,10,18H2,1-3H3/t14-/m0/s1.
What are the key properties of (1S)-1-[4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]phenyl]propan-1-amine?
(1S)-1-[4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]phenyl]propan-1-amine has a molecular weight of 307.82 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]phenyl]propan-1-amine is sourced from PubChem (CID 79025747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).