(1-methylimidazol-2-yl)-(1-phenylpyrazol-4-yl)methanol

C14H14N4O — CID 63975576

IUPAC(1-methylimidazol-2-yl)-(1-phenylpyrazol-4-yl)methanol
SMILESCn1ccnc1C(O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C14H14N4O/c1-17-8-7-15-14(17)13(19)11-9-16-18(10-11)12-5-3-2-4-6-12/h2-10,13,19H,1H3
InChIKeyCCRIELRPCGXSOH-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.69
Rot. Bonds3

About (1-methylimidazol-2-yl)-(1-phenylpyrazol-4-yl)methanol

(1-methylimidazol-2-yl)-(1-phenylpyrazol-4-yl)methanol (PubChem CID 63975576) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is (1-methylimidazol-2-yl)-(1-phenylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(1-methylimidazol-2-yl)-(1-phenylpyrazol-4-yl)methanol
PubChem CID63975576
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name(1-methylimidazol-2-yl)-(1-phenylpyrazol-4-yl)methanol
SMILESCn1ccnc1C(O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C14H14N4O/c1-17-8-7-15-14(17)13(19)11-9-16-18(10-11)12-5-3-2-4-6-12/h2-10,13,19H,1H3
InChIKeyCCRIELRPCGXSOH-UHFFFAOYSA-N
XLogP1.69
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-methylimidazol-2-yl)-(1-phenylpyrazol-4-yl)methanol?
The IUPAC name of (1-methylimidazol-2-yl)-(1-phenylpyrazol-4-yl)methanol (CID 63975576) is (1-methylimidazol-2-yl)-(1-phenylpyrazol-4-yl)methanol.
What is the SMILES notation for (1-methylimidazol-2-yl)-(1-phenylpyrazol-4-yl)methanol?
The canonical SMILES for (1-methylimidazol-2-yl)-(1-phenylpyrazol-4-yl)methanol is Cn1ccnc1C(O)c1cnn(-c2ccccc2)c1.
What is the InChIKey of (1-methylimidazol-2-yl)-(1-phenylpyrazol-4-yl)methanol?
The InChIKey is CCRIELRPCGXSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-17-8-7-15-14(17)13(19)11-9-16-18(10-11)12-5-3-2-4-6-12/h2-10,13,19H,1H3.
What are the key properties of (1-methylimidazol-2-yl)-(1-phenylpyrazol-4-yl)methanol?
(1-methylimidazol-2-yl)-(1-phenylpyrazol-4-yl)methanol has a molecular weight of 254.29 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazol-2-yl)-(1-phenylpyrazol-4-yl)methanol is sourced from PubChem (CID 63975576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).