1-methoxy-3-(1H-pyrazol-5-yl)propan-2-ol

C7H12N2O2 — CID 21265785

IUPAC1-methoxy-3-(1H-pyrazol-5-yl)propan-2-ol
SMILESCOCC(O)Cc1ccn[nH]1
InChIInChI=1S/C7H12N2O2/c1-11-5-7(10)4-6-2-3-8-9-6/h2-3,7,10H,4-5H2,1H3,(H,8,9)
InChIKeyQQDJVRGFQXCPRA-UHFFFAOYSA-N
MW156.19 g/mol
LogP-0.04
Rot. Bonds4

About 1-methoxy-3-(1H-pyrazol-5-yl)propan-2-ol

1-methoxy-3-(1H-pyrazol-5-yl)propan-2-ol (PubChem CID 21265785) has the molecular formula C7H12N2O2 and a molecular weight of 156.19 g/mol. Its IUPAC name is 1-methoxy-3-(1H-pyrazol-5-yl)propan-2-ol.

Molecular Properties

Compound Name1-methoxy-3-(1H-pyrazol-5-yl)propan-2-ol
PubChem CID21265785
Molecular FormulaC7H12N2O2
Molecular Weight156.19 g/mol
Exact Mass156.09
IUPAC Name1-methoxy-3-(1H-pyrazol-5-yl)propan-2-ol
SMILESCOCC(O)Cc1ccn[nH]1
InChIInChI=1S/C7H12N2O2/c1-11-5-7(10)4-6-2-3-8-9-6/h2-3,7,10H,4-5H2,1H3,(H,8,9)
InChIKeyQQDJVRGFQXCPRA-UHFFFAOYSA-N
XLogP-0.04
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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(2S)-1-methoxy-3-(4-methoxyphenyl)propan-2-ol
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5-(2-pentyloctyl)-1H-pyrazole
CID 155244347
5-[3-[3-(1H-pyrazol-5-yl)propoxy]propyl]-1H-pyrazole
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1-(5-fluoro-2-pyridinyl)-3-methoxypropan-2-ol
CID 63200549
2-methoxy-2-(1H-pyrazol-5-ylmethyl)propanedioic acid
CID 148887075
propyl 2-(1H-pyrazol-5-yl)acetate
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CID 123566091

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(1H-pyrazol-5-yl)propan-2-ol?
The IUPAC name of 1-methoxy-3-(1H-pyrazol-5-yl)propan-2-ol (CID 21265785) is 1-methoxy-3-(1H-pyrazol-5-yl)propan-2-ol.
What is the SMILES notation for 1-methoxy-3-(1H-pyrazol-5-yl)propan-2-ol?
The canonical SMILES for 1-methoxy-3-(1H-pyrazol-5-yl)propan-2-ol is COCC(O)Cc1ccn[nH]1.
What is the InChIKey of 1-methoxy-3-(1H-pyrazol-5-yl)propan-2-ol?
The InChIKey is QQDJVRGFQXCPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-11-5-7(10)4-6-2-3-8-9-6/h2-3,7,10H,4-5H2,1H3,(H,8,9).
What are the key properties of 1-methoxy-3-(1H-pyrazol-5-yl)propan-2-ol?
1-methoxy-3-(1H-pyrazol-5-yl)propan-2-ol has a molecular weight of 156.19 g/mol, XLogP of -0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(1H-pyrazol-5-yl)propan-2-ol is sourced from PubChem (CID 21265785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).