(4,5-diamino-1-methylpyrazol-3-yl)methanol

C5H10N4O — CID 10130017

IUPAC(4,5-diamino-1-methylpyrazol-3-yl)methanol
SMILESCn1nc(CO)c(N)c1N
InChIInChI=1S/C5H10N4O/c1-9-5(7)4(6)3(2-10)8-9/h10H,2,6-7H2,1H3
InChIKeyLHGUPKWTLOUVPW-UHFFFAOYSA-N
MW142.16 g/mol
LogP-0.92
Rot. Bonds1

About (4,5-diamino-1-methylpyrazol-3-yl)methanol

(4,5-diamino-1-methylpyrazol-3-yl)methanol (PubChem CID 10130017) has the molecular formula C5H10N4O and a molecular weight of 142.16 g/mol. Its IUPAC name is (4,5-diamino-1-methylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name(4,5-diamino-1-methylpyrazol-3-yl)methanol
PubChem CID10130017
Molecular FormulaC5H10N4O
Molecular Weight142.16 g/mol
Exact Mass142.09
IUPAC Name(4,5-diamino-1-methylpyrazol-3-yl)methanol
SMILESCn1nc(CO)c(N)c1N
InChIInChI=1S/C5H10N4O/c1-9-5(7)4(6)3(2-10)8-9/h10H,2,6-7H2,1H3
InChIKeyLHGUPKWTLOUVPW-UHFFFAOYSA-N
XLogP-0.92
TPSA90.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4,5-diamino-1-methylpyrazol-3-yl)methanol?
The IUPAC name of (4,5-diamino-1-methylpyrazol-3-yl)methanol (CID 10130017) is (4,5-diamino-1-methylpyrazol-3-yl)methanol.
What is the SMILES notation for (4,5-diamino-1-methylpyrazol-3-yl)methanol?
The canonical SMILES for (4,5-diamino-1-methylpyrazol-3-yl)methanol is Cn1nc(CO)c(N)c1N.
What is the InChIKey of (4,5-diamino-1-methylpyrazol-3-yl)methanol?
The InChIKey is LHGUPKWTLOUVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O/c1-9-5(7)4(6)3(2-10)8-9/h10H,2,6-7H2,1H3.
What are the key properties of (4,5-diamino-1-methylpyrazol-3-yl)methanol?
(4,5-diamino-1-methylpyrazol-3-yl)methanol has a molecular weight of 142.16 g/mol, XLogP of -0.92, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-diamino-1-methylpyrazol-3-yl)methanol is sourced from PubChem (CID 10130017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).