[4-amino-1-methyl-5-(methylamino)pyrazol-3-yl]methanol

C6H12N4O — CID 11819275

IUPAC[4-amino-1-methyl-5-(methylamino)pyrazol-3-yl]methanol
SMILESCNc1c(N)c(CO)nn1C
InChIInChI=1S/C6H12N4O/c1-8-6-5(7)4(3-11)9-10(6)2/h8,11H,3,7H2,1-2H3
InChIKeyWQQGAAVASBHQOP-UHFFFAOYSA-N
MW156.19 g/mol
LogP-0.46
Rot. Bonds2

About [4-amino-1-methyl-5-(methylamino)pyrazol-3-yl]methanol

[4-amino-1-methyl-5-(methylamino)pyrazol-3-yl]methanol (PubChem CID 11819275) has the molecular formula C6H12N4O and a molecular weight of 156.19 g/mol. Its IUPAC name is [4-amino-1-methyl-5-(methylamino)pyrazol-3-yl]methanol.

Molecular Properties

Compound Name[4-amino-1-methyl-5-(methylamino)pyrazol-3-yl]methanol
PubChem CID11819275
Molecular FormulaC6H12N4O
Molecular Weight156.19 g/mol
Exact Mass156.10
IUPAC Name[4-amino-1-methyl-5-(methylamino)pyrazol-3-yl]methanol
SMILESCNc1c(N)c(CO)nn1C
InChIInChI=1S/C6H12N4O/c1-8-6-5(7)4(3-11)9-10(6)2/h8,11H,3,7H2,1-2H3
InChIKeyWQQGAAVASBHQOP-UHFFFAOYSA-N
XLogP-0.46
TPSA76.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-amino-1-methyl-5-(methylamino)pyrazol-3-yl]methanol?
The IUPAC name of [4-amino-1-methyl-5-(methylamino)pyrazol-3-yl]methanol (CID 11819275) is [4-amino-1-methyl-5-(methylamino)pyrazol-3-yl]methanol.
What is the SMILES notation for [4-amino-1-methyl-5-(methylamino)pyrazol-3-yl]methanol?
The canonical SMILES for [4-amino-1-methyl-5-(methylamino)pyrazol-3-yl]methanol is CNc1c(N)c(CO)nn1C.
What is the InChIKey of [4-amino-1-methyl-5-(methylamino)pyrazol-3-yl]methanol?
The InChIKey is WQQGAAVASBHQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O/c1-8-6-5(7)4(3-11)9-10(6)2/h8,11H,3,7H2,1-2H3.
What are the key properties of [4-amino-1-methyl-5-(methylamino)pyrazol-3-yl]methanol?
[4-amino-1-methyl-5-(methylamino)pyrazol-3-yl]methanol has a molecular weight of 156.19 g/mol, XLogP of -0.46, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-1-methyl-5-(methylamino)pyrazol-3-yl]methanol is sourced from PubChem (CID 11819275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).