methyl 4-(3-cyclohexylpropanoylamino)-1,5-dimethylpyrazole-3-carboxylate

C16H25N3O3 — CID 95748419

IUPACmethyl 4-(3-cyclohexylpropanoylamino)-1,5-dimethylpyrazole-3-carboxylate
SMILESCOC(=O)c1nn(C)c(C)c1NC(=O)CCC1CCCCC1
InChIInChI=1S/C16H25N3O3/c1-11-14(15(16(21)22-3)18-19(11)2)17-13(20)10-9-12-7-5-4-6-8-12/h12H,4-10H2,1-3H3,(H,17,20)
InChIKeyOHEHGTCVWWSLPQ-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.81
Rot. Bonds5

About methyl 4-(3-cyclohexylpropanoylamino)-1,5-dimethylpyrazole-3-carboxylate

methyl 4-(3-cyclohexylpropanoylamino)-1,5-dimethylpyrazole-3-carboxylate (PubChem CID 95748419) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is methyl 4-(3-cyclohexylpropanoylamino)-1,5-dimethylpyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3-cyclohexylpropanoylamino)-1,5-dimethylpyrazole-3-carboxylate
PubChem CID95748419
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Namemethyl 4-(3-cyclohexylpropanoylamino)-1,5-dimethylpyrazole-3-carboxylate
SMILESCOC(=O)c1nn(C)c(C)c1NC(=O)CCC1CCCCC1
InChIInChI=1S/C16H25N3O3/c1-11-14(15(16(21)22-3)18-19(11)2)17-13(20)10-9-12-7-5-4-6-8-12/h12H,4-10H2,1-3H3,(H,17,20)
InChIKeyOHEHGTCVWWSLPQ-UHFFFAOYSA-N
XLogP2.81
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(3-cyclopentylpropanoylamino)-1,3-dimethylpyrazole-5-carboxylate
CID 95749047
methyl 4-(cyclopentanecarbonylamino)-1,5-dimethylpyrazole-3-carboxylate
CID 75358466
3-cyclopentyl-N-(2,5-dimethylpyrazol-3-yl)propanamide
CID 35291168
3-cyclohexyl-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)propanamide
CID 122302583
methyl 4-[3-(4-bromopyrazol-1-yl)propanoylamino]-1,5-dimethylpyrazole-3-carboxylate
CID 95748152
methyl 1,5-dimethyl-4-(oxolane-2-carbonylamino)pyrazole-3-carboxylate
CID 110280743
methyl 4-[3-(5-methoxycyclooctyl)propanoylamino]-1-methylpyrazole-3-carboxylate
CID 143923996
methyl 4-[(1-acetylpiperidine-3-carbonyl)amino]-1,5-dimethylpyrazole-3-carboxylate
CID 110280729
methyl 1,5-dimethyl-4-(2-methylbutanoylamino)pyrazole-3-carboxylate
CID 110280744
methyl 4-(3-cyclohexylpropanoylamino)-3-methylbenzoate
CID 38091591
methyl 4-[[2-(3,5-dimethylphenoxy)acetyl]amino]-1,5-dimethylpyrazole-3-carboxylate
CID 95748126
methyl 1,4,5-trimethylpyrazole-3-carboxylate
CID 144787574

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-cyclohexylpropanoylamino)-1,5-dimethylpyrazole-3-carboxylate?
The IUPAC name of methyl 4-(3-cyclohexylpropanoylamino)-1,5-dimethylpyrazole-3-carboxylate (CID 95748419) is methyl 4-(3-cyclohexylpropanoylamino)-1,5-dimethylpyrazole-3-carboxylate.
What is the SMILES notation for methyl 4-(3-cyclohexylpropanoylamino)-1,5-dimethylpyrazole-3-carboxylate?
The canonical SMILES for methyl 4-(3-cyclohexylpropanoylamino)-1,5-dimethylpyrazole-3-carboxylate is COC(=O)c1nn(C)c(C)c1NC(=O)CCC1CCCCC1.
What is the InChIKey of methyl 4-(3-cyclohexylpropanoylamino)-1,5-dimethylpyrazole-3-carboxylate?
The InChIKey is OHEHGTCVWWSLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-11-14(15(16(21)22-3)18-19(11)2)17-13(20)10-9-12-7-5-4-6-8-12/h12H,4-10H2,1-3H3,(H,17,20).
What are the key properties of methyl 4-(3-cyclohexylpropanoylamino)-1,5-dimethylpyrazole-3-carboxylate?
methyl 4-(3-cyclohexylpropanoylamino)-1,5-dimethylpyrazole-3-carboxylate has a molecular weight of 307.39 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-cyclohexylpropanoylamino)-1,5-dimethylpyrazole-3-carboxylate is sourced from PubChem (CID 95748419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).