4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]cyclohexane-1-carboxylic acid

C14H21ClN2O3 — CID 114451002

IUPAC4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]cyclohexane-1-carboxylic acid
SMILESCCn1nc(C)c(Cl)c1COC1CCC(C(=O)O)CC1
InChIInChI=1S/C14H21ClN2O3/c1-3-17-12(13(15)9(2)16-17)8-20-11-6-4-10(5-7-11)14(18)19/h10-11H,3-8H2,1-2H3,(H,18,19)
InChIKeyQVBHKUANHDWKLT-UHFFFAOYSA-N
MW300.79 g/mol
LogP3.02
Rot. Bonds5

About 4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]cyclohexane-1-carboxylic acid

4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]cyclohexane-1-carboxylic acid (PubChem CID 114451002) has the molecular formula C14H21ClN2O3 and a molecular weight of 300.79 g/mol. Its IUPAC name is 4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]cyclohexane-1-carboxylic acid
PubChem CID114451002
Molecular FormulaC14H21ClN2O3
Molecular Weight300.79 g/mol
Exact Mass300.12
IUPAC Name4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]cyclohexane-1-carboxylic acid
SMILESCCn1nc(C)c(Cl)c1COC1CCC(C(=O)O)CC1
InChIInChI=1S/C14H21ClN2O3/c1-3-17-12(13(15)9(2)16-17)8-20-11-6-4-10(5-7-11)14(18)19/h10-11H,3-8H2,1-2H3,(H,18,19)
InChIKeyQVBHKUANHDWKLT-UHFFFAOYSA-N
XLogP3.02
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (3S)-1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]piperidine-3-carboxylate
CID 115536573
3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1,1-diethoxypropan-2-one
CID 79496140
4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]thiophene-2-carboxylic acid
CID 66438891
4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]cyclohexane-1-carboxylic acid
CID 114451158
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(thiolan-2-yl)ethanone
CID 80621937
1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-(1,3-dioxolan-2-yl)propan-2-one
CID 103543734
1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3-methoxycyclobutan-1-ol
CID 106823582
2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3,3-dimethylbutanoic acid
CID 83139088
2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]-5-iodobenzoic acid
CID 82991140
4-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)amino]cyclohexane-1-carboxylic acid
CID 66013550
1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-(oxolan-3-yl)propan-2-one
CID 103986324
1-[1-(aminomethyl)-4-methylcyclohexyl]-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethanone
CID 116604048

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]cyclohexane-1-carboxylic acid (CID 114451002) is 4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]cyclohexane-1-carboxylic acid is CCn1nc(C)c(Cl)c1COC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]cyclohexane-1-carboxylic acid?
The InChIKey is QVBHKUANHDWKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3/c1-3-17-12(13(15)9(2)16-17)8-20-11-6-4-10(5-7-11)14(18)19/h10-11H,3-8H2,1-2H3,(H,18,19).
What are the key properties of 4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]cyclohexane-1-carboxylic acid?
4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]cyclohexane-1-carboxylic acid has a molecular weight of 300.79 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 114451002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).