1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-ol

C9H12N4O — CID 116799436

IUPAC1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-ol
SMILESCCn1cc(Cn2cc(O)cn2)cn1
InChIInChI=1S/C9H12N4O/c1-2-12-5-8(3-10-12)6-13-7-9(14)4-11-13/h3-5,7,14H,2,6H2,1H3
InChIKeyPSDQZLHSRUASKU-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.85
Rot. Bonds3

About 1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-ol

1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-ol (PubChem CID 116799436) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-ol.

Molecular Properties

Compound Name1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-ol
PubChem CID116799436
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-ol
SMILESCCn1cc(Cn2cc(O)cn2)cn1
InChIInChI=1S/C9H12N4O/c1-2-12-5-8(3-10-12)6-13-7-9(14)4-11-13/h3-5,7,14H,2,6H2,1H3
InChIKeyPSDQZLHSRUASKU-UHFFFAOYSA-N
XLogP0.85
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 62730205
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CID 62729663
4-[[(1-ethylpyrazol-4-yl)methylamino]methyl]phenol
CID 19627439
1,4-diethylpyrazole;ethane
CID 143641951
1-[(1-ethylpyrazol-4-yl)methyl]-1,2,4-triazol-3-amine
CID 62126352
1-ethyl-3-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]thiourea
CID 19445833
1-[(1-ethylpyrazol-4-yl)methyl]-4-methylpiperidin-4-ol
CID 81114923
1-(1-benzylpyrazol-4-yl)-3-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]thiourea
CID 19445863
1-ethyl-4-[(1-ethylpyrazol-4-yl)methoxy]pyrazole
CID 116804612
1-(1-ethylpyrazol-4-yl)butan-2-one
CID 62126420
2-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]ethanethioamide
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1-[(2-hydroxyphenyl)methyl]pyrazol-4-ol
CID 117124791

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-ol?
The IUPAC name of 1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-ol (CID 116799436) is 1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-ol.
What is the SMILES notation for 1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-ol?
The canonical SMILES for 1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-ol is CCn1cc(Cn2cc(O)cn2)cn1.
What is the InChIKey of 1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-ol?
The InChIKey is PSDQZLHSRUASKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-2-12-5-8(3-10-12)6-13-7-9(14)4-11-13/h3-5,7,14H,2,6H2,1H3.
What are the key properties of 1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-ol?
1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-ol has a molecular weight of 192.22 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-ol is sourced from PubChem (CID 116799436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).