3-amino-1-(propan-2-ylamino)pyrazol-4-ol

C6H12N4O — CID 69238393

IUPAC3-amino-1-(propan-2-ylamino)pyrazol-4-ol
SMILESCC(C)Nn1cc(O)c(N)n1
InChIInChI=1S/C6H12N4O/c1-4(2)8-10-3-5(11)6(7)9-10/h3-4,8,11H,1-2H3,(H2,7,9)
InChIKeySMJUDDDCCOIBRF-UHFFFAOYSA-N
MW156.19 g/mol
LogP0.12
Rot. Bonds2

About 3-amino-1-(propan-2-ylamino)pyrazol-4-ol

3-amino-1-(propan-2-ylamino)pyrazol-4-ol (PubChem CID 69238393) has the molecular formula C6H12N4O and a molecular weight of 156.19 g/mol. Its IUPAC name is 3-amino-1-(propan-2-ylamino)pyrazol-4-ol.

Molecular Properties

Compound Name3-amino-1-(propan-2-ylamino)pyrazol-4-ol
PubChem CID69238393
Molecular FormulaC6H12N4O
Molecular Weight156.19 g/mol
Exact Mass156.10
IUPAC Name3-amino-1-(propan-2-ylamino)pyrazol-4-ol
SMILESCC(C)Nn1cc(O)c(N)n1
InChIInChI=1S/C6H12N4O/c1-4(2)8-10-3-5(11)6(7)9-10/h3-4,8,11H,1-2H3,(H2,7,9)
InChIKeySMJUDDDCCOIBRF-UHFFFAOYSA-N
XLogP0.12
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 ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(propan-2-ylamino)pyrazol-4-ol?
The IUPAC name of 3-amino-1-(propan-2-ylamino)pyrazol-4-ol (CID 69238393) is 3-amino-1-(propan-2-ylamino)pyrazol-4-ol.
What is the SMILES notation for 3-amino-1-(propan-2-ylamino)pyrazol-4-ol?
The canonical SMILES for 3-amino-1-(propan-2-ylamino)pyrazol-4-ol is CC(C)Nn1cc(O)c(N)n1.
What is the InChIKey of 3-amino-1-(propan-2-ylamino)pyrazol-4-ol?
The InChIKey is SMJUDDDCCOIBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O/c1-4(2)8-10-3-5(11)6(7)9-10/h3-4,8,11H,1-2H3,(H2,7,9).
What are the key properties of 3-amino-1-(propan-2-ylamino)pyrazol-4-ol?
3-amino-1-(propan-2-ylamino)pyrazol-4-ol has a molecular weight of 156.19 g/mol, XLogP of 0.12, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(propan-2-ylamino)pyrazol-4-ol is sourced from PubChem (CID 69238393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).