methyl 1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrazole-4-carboxylate

C14H18N4O2 — CID 163333274

IUPACmethyl 1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrazole-4-carboxylate
SMILESCOC(=O)c1cnn(Cc2ccn(C3CCCC3)n2)c1
InChIInChI=1S/C14H18N4O2/c1-20-14(19)11-8-15-17(9-11)10-12-6-7-18(16-12)13-4-2-3-5-13/h6-9,13H,2-5,10H2,1H3
InChIKeyFOVKPEIIWRENMM-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.03
Rot. Bonds4

About methyl 1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrazole-4-carboxylate

methyl 1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrazole-4-carboxylate (PubChem CID 163333274) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is methyl 1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrazole-4-carboxylate
PubChem CID163333274
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Namemethyl 1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrazole-4-carboxylate
SMILESCOC(=O)c1cnn(Cc2ccn(C3CCCC3)n2)c1
InChIInChI=1S/C14H18N4O2/c1-20-14(19)11-8-15-17(9-11)10-12-6-7-18(16-12)13-4-2-3-5-13/h6-9,13H,2-5,10H2,1H3
InChIKeyFOVKPEIIWRENMM-UHFFFAOYSA-N
XLogP2.03
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-[(1-cyclohexylpyrazol-3-yl)methyl]triazole-4-carboxylate
CID 103107476
3-[(4-bromopyrazol-1-yl)methyl]-1-cyclohexylpyrazole
CID 64777851
1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrazole-4-sulfonyl chloride
CID 64778631
1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrazole-4-sulfonyl chloride
CID 64778434
3-[[4-(chloromethyl)pyrazol-1-yl]methyl]-1-cyclohexylpyrazole
CID 64779298
dimethyl 2-[(1-cyclopentylpyrazol-3-yl)methyl]propanedioate
CID 103972375
N-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrazol-3-yl]methyl]ethanamine
CID 64776990
methyl 1-(piperidin-2-ylmethyl)pyrazole-4-carboxylate
CID 84735437
methyl 1-[(4-bromophenyl)methyl]pyrazole-4-carboxylate
CID 154827636
2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]azetidin-3-yl]acetic acid
CID 64784425
2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]triazol-4-yl]ethanol
CID 64778669
1-(1-cyclopentylpyrazol-3-yl)-3-methoxy-3-methylbutan-2-one
CID 79197509

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrazole-4-carboxylate?
The IUPAC name of methyl 1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrazole-4-carboxylate (CID 163333274) is methyl 1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrazole-4-carboxylate.
What is the SMILES notation for methyl 1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrazole-4-carboxylate?
The canonical SMILES for methyl 1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrazole-4-carboxylate is COC(=O)c1cnn(Cc2ccn(C3CCCC3)n2)c1.
What is the InChIKey of methyl 1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrazole-4-carboxylate?
The InChIKey is FOVKPEIIWRENMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-20-14(19)11-8-15-17(9-11)10-12-6-7-18(16-12)13-4-2-3-5-13/h6-9,13H,2-5,10H2,1H3.
What are the key properties of methyl 1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrazole-4-carboxylate?
methyl 1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrazole-4-carboxylate has a molecular weight of 274.32 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrazole-4-carboxylate is sourced from PubChem (CID 163333274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).