4-chloro-1-(3-methoxy-2-methylpropyl)pyrazol-5-amine

C8H14ClN3O — CID 116501544

IUPAC4-chloro-1-(3-methoxy-2-methylpropyl)pyrazol-5-amine
SMILESCOCC(C)Cn1ncc(Cl)c1N
InChIInChI=1S/C8H14ClN3O/c1-6(5-13-2)4-12-8(10)7(9)3-11-12/h3,6H,4-5,10H2,1-2H3
InChIKeyKDVWRPPUMUHOBJ-UHFFFAOYSA-N
MW203.67 g/mol
LogP1.40
Rot. Bonds4

About 4-chloro-1-(3-methoxy-2-methylpropyl)pyrazol-5-amine

4-chloro-1-(3-methoxy-2-methylpropyl)pyrazol-5-amine (PubChem CID 116501544) has the molecular formula C8H14ClN3O and a molecular weight of 203.67 g/mol. Its IUPAC name is 4-chloro-1-(3-methoxy-2-methylpropyl)pyrazol-5-amine.

Molecular Properties

Compound Name4-chloro-1-(3-methoxy-2-methylpropyl)pyrazol-5-amine
PubChem CID116501544
Molecular FormulaC8H14ClN3O
Molecular Weight203.67 g/mol
Exact Mass203.08
IUPAC Name4-chloro-1-(3-methoxy-2-methylpropyl)pyrazol-5-amine
SMILESCOCC(C)Cn1ncc(Cl)c1N
InChIInChI=1S/C8H14ClN3O/c1-6(5-13-2)4-12-8(10)7(9)3-11-12/h3,6H,4-5,10H2,1-2H3
InChIKeyKDVWRPPUMUHOBJ-UHFFFAOYSA-N
XLogP1.40
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.67
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-1-(3-methoxy-2-methylpropyl)pyrazol-5-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-(3-methoxy-2-methylpropyl)tetrazol-5-amine
CID 79505930
4-methyl-1-(2-methylbutyl)pyrazol-5-amine
CID 43312420
1-(3-amino-2-methylpropyl)pyrazole-4,5-diamine
CID 22227389
1-(4-chloro-1-propylpyrazol-5-yl)-4-methoxy-3-methylbutan-1-one
CID 105131020
1-(4-chloro-1-propylpyrazol-5-yl)-2-methoxyethanamine
CID 114648638
2-chloro-3-[1-(3-methoxy-2-methylpropyl)tetrazol-5-yl]aniline
CID 112580492
(4-chloro-1-propan-2-ylpyrazol-5-yl)methylhydrazine
CID 105220837
1-(1-methoxypropan-2-yl)-4-methylpyrazol-5-amine
CID 62537017
4-chloro-1-[[3-(difluoromethyl)phenyl]methyl]pyrazol-5-amine
CID 113328791
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-methylpropan-1-ol
CID 114634657
2-(4-chloropyrazol-1-yl)-3-methoxypropan-1-amine
CID 103227543
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2,2-dimethoxyethanamine
CID 114657526

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(3-methoxy-2-methylpropyl)pyrazol-5-amine?
The IUPAC name of 4-chloro-1-(3-methoxy-2-methylpropyl)pyrazol-5-amine (CID 116501544) is 4-chloro-1-(3-methoxy-2-methylpropyl)pyrazol-5-amine.
What is the SMILES notation for 4-chloro-1-(3-methoxy-2-methylpropyl)pyrazol-5-amine?
The canonical SMILES for 4-chloro-1-(3-methoxy-2-methylpropyl)pyrazol-5-amine is COCC(C)Cn1ncc(Cl)c1N.
What is the InChIKey of 4-chloro-1-(3-methoxy-2-methylpropyl)pyrazol-5-amine?
The InChIKey is KDVWRPPUMUHOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClN3O/c1-6(5-13-2)4-12-8(10)7(9)3-11-12/h3,6H,4-5,10H2,1-2H3.
What are the key properties of 4-chloro-1-(3-methoxy-2-methylpropyl)pyrazol-5-amine?
4-chloro-1-(3-methoxy-2-methylpropyl)pyrazol-5-amine has a molecular weight of 203.67 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(3-methoxy-2-methylpropyl)pyrazol-5-amine is sourced from PubChem (CID 116501544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).