5-(cyclobutylmethoxymethyl)-1H-pyrazole-3-carboxylic acid

C10H14N2O3 — CID 95732657

IUPAC5-(cyclobutylmethoxymethyl)-1H-pyrazole-3-carboxylic acid
SMILESO=C(O)c1cc(COCC2CCC2)[nH]n1
InChIInChI=1S/C10H14N2O3/c13-10(14)9-4-8(11-12-9)6-15-5-7-2-1-3-7/h4,7H,1-3,5-6H2,(H,11,12)(H,13,14)
InChIKeyHWKKTCBFXOSLQN-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.42
Rot. Bonds5

About 5-(cyclobutylmethoxymethyl)-1H-pyrazole-3-carboxylic acid

5-(cyclobutylmethoxymethyl)-1H-pyrazole-3-carboxylic acid (PubChem CID 95732657) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 5-(cyclobutylmethoxymethyl)-1H-pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(cyclobutylmethoxymethyl)-1H-pyrazole-3-carboxylic acid
PubChem CID95732657
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name5-(cyclobutylmethoxymethyl)-1H-pyrazole-3-carboxylic acid
SMILESO=C(O)c1cc(COCC2CCC2)[nH]n1
InChIInChI=1S/C10H14N2O3/c13-10(14)9-4-8(11-12-9)6-15-5-7-2-1-3-7/h4,7H,1-3,5-6H2,(H,11,12)(H,13,14)
InChIKeyHWKKTCBFXOSLQN-UHFFFAOYSA-N
XLogP1.42
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 66322137
5-[(1,1-dioxothian-3-yl)methyl]-1H-pyrazole-3-carboxylic acid
CID 115092859
5-ethyl-1H-pyrazole-3-carboxylic acid
CID 4913402
5-(piperidin-3-ylmethoxymethyl)-1,2-oxazole-3-carboxylic acid
CID 83212217
5-(pyridin-3-yloxymethyl)-1H-pyrazole-3-carboxylic acid
CID 117215982
5-[(2-hydroxyphenoxy)methyl]-1H-pyrazole-3-carboxylic acid
CID 117215961
5-(2-aminoethyl)-1H-pyrazole-3-carboxylic acid
CID 58810628
5-[(4-chloro-3-methylphenoxy)methyl]-1H-pyrazole-3-carboxylic acid
CID 82092065
5-[(3-methylcyclohexyl)methoxymethyl]thiophene-2-carboxylic acid
CID 114196960
[3-(morpholin-4-ylmethyl)piperidin-1-yl]-[5-(phenoxymethyl)-1H-pyrazol-3-yl]methanone
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5-(ethylsulfonylmethyl)-1H-pyrazole-3-carboxylic acid
CID 58810610
5-[1-(cyclohexylmethylsulfonyl)azetidin-3-yl]-1H-pyrazole-3-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 5-(cyclobutylmethoxymethyl)-1H-pyrazole-3-carboxylic acid?
The IUPAC name of 5-(cyclobutylmethoxymethyl)-1H-pyrazole-3-carboxylic acid (CID 95732657) is 5-(cyclobutylmethoxymethyl)-1H-pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-(cyclobutylmethoxymethyl)-1H-pyrazole-3-carboxylic acid?
The canonical SMILES for 5-(cyclobutylmethoxymethyl)-1H-pyrazole-3-carboxylic acid is O=C(O)c1cc(COCC2CCC2)[nH]n1.
What is the InChIKey of 5-(cyclobutylmethoxymethyl)-1H-pyrazole-3-carboxylic acid?
The InChIKey is HWKKTCBFXOSLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c13-10(14)9-4-8(11-12-9)6-15-5-7-2-1-3-7/h4,7H,1-3,5-6H2,(H,11,12)(H,13,14).
What are the key properties of 5-(cyclobutylmethoxymethyl)-1H-pyrazole-3-carboxylic acid?
5-(cyclobutylmethoxymethyl)-1H-pyrazole-3-carboxylic acid has a molecular weight of 210.23 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclobutylmethoxymethyl)-1H-pyrazole-3-carboxylic acid is sourced from PubChem (CID 95732657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).