1-[3-chloro-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]propan-2-amine

C14H18ClN3O — CID 82876572

IUPAC1-[3-chloro-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(OCc2ccn(C)n2)c(Cl)c1
InChIInChI=1S/C14H18ClN3O/c1-10(16)7-11-3-4-14(13(15)8-11)19-9-12-5-6-18(2)17-12/h3-6,8,10H,7,9,16H2,1-2H3
InChIKeySHRXLDIWTCXSMX-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.54
Rot. Bonds5

About 1-[3-chloro-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]propan-2-amine

1-[3-chloro-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]propan-2-amine (PubChem CID 82876572) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 1-[3-chloro-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-chloro-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]propan-2-amine
PubChem CID82876572
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name1-[3-chloro-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(OCc2ccn(C)n2)c(Cl)c1
InChIInChI=1S/C14H18ClN3O/c1-10(16)7-11-3-4-14(13(15)8-11)19-9-12-5-6-18(2)17-12/h3-6,8,10H,7,9,16H2,1-2H3
InChIKeySHRXLDIWTCXSMX-UHFFFAOYSA-N
XLogP2.54
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-chloro-4-[(6-methyl-2-pyridinyl)methoxy]phenyl]propan-2-amine
CID 79260536
1-[3,5-dimethyl-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]propan-2-amine
CID 82878160
3-chloro-4-[(1-methylpyrazol-3-yl)methoxy]benzaldehyde
CID 82865855
2-[3-chloro-4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine
CID 64773168
[2-chloro-6-[(1-methylpyrazol-3-yl)methoxy]phenyl]methanamine
CID 82866452
1-[3-chloro-4-(3-ethoxypropoxy)phenyl]propan-2-amine
CID 65180611
1-[3-chloro-4-(3,3,3-trifluoropropoxy)phenyl]propan-2-amine
CID 64564905
(1R)-1-[3-methyl-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethanol
CID 113387010
[3-chloro-4-[(1-cyclopentylpyrazol-3-yl)methoxy]phenyl]methanamine
CID 64801737
2,3-dichloro-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonamide
CID 82869265
1-[5-bromo-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethanol
CID 82866339
[3-[(1-methylpyrazol-3-yl)methoxy]phenyl]methanamine
CID 82866670

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]propan-2-amine?
The IUPAC name of 1-[3-chloro-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]propan-2-amine (CID 82876572) is 1-[3-chloro-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-chloro-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]propan-2-amine?
The canonical SMILES for 1-[3-chloro-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]propan-2-amine is CC(N)Cc1ccc(OCc2ccn(C)n2)c(Cl)c1.
What is the InChIKey of 1-[3-chloro-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]propan-2-amine?
The InChIKey is SHRXLDIWTCXSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-10(16)7-11-3-4-14(13(15)8-11)19-9-12-5-6-18(2)17-12/h3-6,8,10H,7,9,16H2,1-2H3.
What are the key properties of 1-[3-chloro-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]propan-2-amine?
1-[3-chloro-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]propan-2-amine has a molecular weight of 279.77 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]propan-2-amine is sourced from PubChem (CID 82876572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).