1-(3-methoxypropyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-3-amine

C12H18N4OS — CID 71969682

IUPAC1-(3-methoxypropyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-3-amine
SMILESCOCCCn1ccc(NCc2nc(C)cs2)n1
InChIInChI=1S/C12H18N4OS/c1-10-9-18-12(14-10)8-13-11-4-6-16(15-11)5-3-7-17-2/h4,6,9H,3,5,7-8H2,1-2H3,(H,13,15)
InChIKeyBUZUHMOBWZMQMT-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.30
Rot. Bonds7

About 1-(3-methoxypropyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-3-amine

1-(3-methoxypropyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-3-amine (PubChem CID 71969682) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-(3-methoxypropyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-3-amine
PubChem CID71969682
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name1-(3-methoxypropyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-3-amine
SMILESCOCCCn1ccc(NCc2nc(C)cs2)n1
InChIInChI=1S/C12H18N4OS/c1-10-9-18-12(14-10)8-13-11-4-6-16(15-11)5-3-7-17-2/h4,6,9H,3,5,7-8H2,1-2H3,(H,13,15)
InChIKeyBUZUHMOBWZMQMT-UHFFFAOYSA-N
XLogP2.30
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-3-amine?
The IUPAC name of 1-(3-methoxypropyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-3-amine (CID 71969682) is 1-(3-methoxypropyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-3-amine.
What is the SMILES notation for 1-(3-methoxypropyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-3-amine?
The canonical SMILES for 1-(3-methoxypropyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-3-amine is COCCCn1ccc(NCc2nc(C)cs2)n1.
What is the InChIKey of 1-(3-methoxypropyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-3-amine?
The InChIKey is BUZUHMOBWZMQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-10-9-18-12(14-10)8-13-11-4-6-16(15-11)5-3-7-17-2/h4,6,9H,3,5,7-8H2,1-2H3,(H,13,15).
What are the key properties of 1-(3-methoxypropyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-3-amine?
1-(3-methoxypropyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-3-amine has a molecular weight of 266.37 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-3-amine is sourced from PubChem (CID 71969682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).