(1-methylpyrazol-3-yl)-(1-methylpyrazol-4-yl)methanol

C9H12N4O — CID 65195705

IUPAC(1-methylpyrazol-3-yl)-(1-methylpyrazol-4-yl)methanol
SMILESCn1cc(C(O)c2ccn(C)n2)cn1
InChIInChI=1S/C9H12N4O/c1-12-4-3-8(11-12)9(14)7-5-10-13(2)6-7/h3-6,9,14H,1-2H3
InChIKeyGADCZHMUSWOFKP-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.24
Rot. Bonds2

About (1-methylpyrazol-3-yl)-(1-methylpyrazol-4-yl)methanol

(1-methylpyrazol-3-yl)-(1-methylpyrazol-4-yl)methanol (PubChem CID 65195705) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is (1-methylpyrazol-3-yl)-(1-methylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(1-methylpyrazol-3-yl)-(1-methylpyrazol-4-yl)methanol
PubChem CID65195705
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name(1-methylpyrazol-3-yl)-(1-methylpyrazol-4-yl)methanol
SMILESCn1cc(C(O)c2ccn(C)n2)cn1
InChIInChI=1S/C9H12N4O/c1-12-4-3-8(11-12)9(14)7-5-10-13(2)6-7/h3-6,9,14H,1-2H3
InChIKeyGADCZHMUSWOFKP-UHFFFAOYSA-N
XLogP0.24
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-3-yl)-(1-methylpyrazol-4-yl)methanol?
The IUPAC name of (1-methylpyrazol-3-yl)-(1-methylpyrazol-4-yl)methanol (CID 65195705) is (1-methylpyrazol-3-yl)-(1-methylpyrazol-4-yl)methanol.
What is the SMILES notation for (1-methylpyrazol-3-yl)-(1-methylpyrazol-4-yl)methanol?
The canonical SMILES for (1-methylpyrazol-3-yl)-(1-methylpyrazol-4-yl)methanol is Cn1cc(C(O)c2ccn(C)n2)cn1.
What is the InChIKey of (1-methylpyrazol-3-yl)-(1-methylpyrazol-4-yl)methanol?
The InChIKey is GADCZHMUSWOFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-12-4-3-8(11-12)9(14)7-5-10-13(2)6-7/h3-6,9,14H,1-2H3.
What are the key properties of (1-methylpyrazol-3-yl)-(1-methylpyrazol-4-yl)methanol?
(1-methylpyrazol-3-yl)-(1-methylpyrazol-4-yl)methanol has a molecular weight of 192.22 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-3-yl)-(1-methylpyrazol-4-yl)methanol is sourced from PubChem (CID 65195705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).