2-[3-methyl-5-(4-methylpentan-2-ylamino)pyrazol-1-yl]ethanol

C12H23N3O — CID 115925989

IUPAC2-[3-methyl-5-(4-methylpentan-2-ylamino)pyrazol-1-yl]ethanol
SMILESCc1cc(NC(C)CC(C)C)n(CCO)n1
InChIInChI=1S/C12H23N3O/c1-9(2)7-10(3)13-12-8-11(4)14-15(12)5-6-16/h8-10,13,16H,5-7H2,1-4H3
InChIKeyPJWXCNPMPVOYIV-UHFFFAOYSA-N
MW225.34 g/mol
LogP2.03
Rot. Bonds6

About 2-[3-methyl-5-(4-methylpentan-2-ylamino)pyrazol-1-yl]ethanol

2-[3-methyl-5-(4-methylpentan-2-ylamino)pyrazol-1-yl]ethanol (PubChem CID 115925989) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-[3-methyl-5-(4-methylpentan-2-ylamino)pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-methyl-5-(4-methylpentan-2-ylamino)pyrazol-1-yl]ethanol
PubChem CID115925989
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-[3-methyl-5-(4-methylpentan-2-ylamino)pyrazol-1-yl]ethanol
SMILESCc1cc(NC(C)CC(C)C)n(CCO)n1
InChIInChI=1S/C12H23N3O/c1-9(2)7-10(3)13-12-8-11(4)14-15(12)5-6-16/h8-10,13,16H,5-7H2,1-4H3
InChIKeyPJWXCNPMPVOYIV-UHFFFAOYSA-N
XLogP2.03
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-5-(4-methylpentan-2-ylamino)pyrazol-1-yl]ethanol?
The IUPAC name of 2-[3-methyl-5-(4-methylpentan-2-ylamino)pyrazol-1-yl]ethanol (CID 115925989) is 2-[3-methyl-5-(4-methylpentan-2-ylamino)pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[3-methyl-5-(4-methylpentan-2-ylamino)pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[3-methyl-5-(4-methylpentan-2-ylamino)pyrazol-1-yl]ethanol is Cc1cc(NC(C)CC(C)C)n(CCO)n1.
What is the InChIKey of 2-[3-methyl-5-(4-methylpentan-2-ylamino)pyrazol-1-yl]ethanol?
The InChIKey is PJWXCNPMPVOYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-9(2)7-10(3)13-12-8-11(4)14-15(12)5-6-16/h8-10,13,16H,5-7H2,1-4H3.
What are the key properties of 2-[3-methyl-5-(4-methylpentan-2-ylamino)pyrazol-1-yl]ethanol?
2-[3-methyl-5-(4-methylpentan-2-ylamino)pyrazol-1-yl]ethanol has a molecular weight of 225.34 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-5-(4-methylpentan-2-ylamino)pyrazol-1-yl]ethanol is sourced from PubChem (CID 115925989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).