(3-carbamoylphenyl)methyl 3-(4-methylpyrazol-1-yl)propanoate

C15H17N3O3 — CID 60562435

IUPAC(3-carbamoylphenyl)methyl 3-(4-methylpyrazol-1-yl)propanoate
SMILESCc1cnn(CCC(=O)OCc2cccc(C(N)=O)c2)c1
InChIInChI=1S/C15H17N3O3/c1-11-8-17-18(9-11)6-5-14(19)21-10-12-3-2-4-13(7-12)15(16)20/h2-4,7-9H,5-6,10H2,1H3,(H2,16,20)
InChIKeyHBCMIOODCFSBMX-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.42
Rot. Bonds6

About (3-carbamoylphenyl)methyl 3-(4-methylpyrazol-1-yl)propanoate

(3-carbamoylphenyl)methyl 3-(4-methylpyrazol-1-yl)propanoate (PubChem CID 60562435) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is (3-carbamoylphenyl)methyl 3-(4-methylpyrazol-1-yl)propanoate.

Molecular Properties

Compound Name(3-carbamoylphenyl)methyl 3-(4-methylpyrazol-1-yl)propanoate
PubChem CID60562435
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name(3-carbamoylphenyl)methyl 3-(4-methylpyrazol-1-yl)propanoate
SMILESCc1cnn(CCC(=O)OCc2cccc(C(N)=O)c2)c1
InChIInChI=1S/C15H17N3O3/c1-11-8-17-18(9-11)6-5-14(19)21-10-12-3-2-4-13(7-12)15(16)20/h2-4,7-9H,5-6,10H2,1H3,(H2,16,20)
InChIKeyHBCMIOODCFSBMX-UHFFFAOYSA-N
XLogP1.42
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

thiophen-2-ylmethyl 3-(4-methylpyrazol-1-yl)propanoate
CID 60554352
[4-(difluoromethoxy)-3-methoxyphenyl]methyl 3-(4-methylpyrazol-1-yl)propanoate
CID 60554501
benzyl 2-(4-methylpyrazol-1-yl)acetate
CID 121256178
methyl 3-(4-carbamoylpyrazol-1-yl)propanoate
CID 50896619
(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 3-(4-methylpyrazol-1-yl)propanoate
CID 60554109
bis[(3-methylphenyl)methyl] pentanedioate
CID 91711013
(3-carbamoylphenyl)methyl 2-ethylbutanoate
CID 60562017
3-[[(1-methylpyrazol-4-yl)methylamino]methyl]benzamide
CID 43664759
N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-(4-methylpyrazol-1-yl)propanamide
CID 87040595
cyclohex-3-en-1-ylmethyl 3-(4-methylpyrazol-1-yl)propanoate
CID 87044487
(3-carbamoylphenyl)methyl 2-[[5-(2-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 55634506
3-(4-methylpyrazol-1-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide
CID 87042762

Frequently Asked Questions

What is the IUPAC name of (3-carbamoylphenyl)methyl 3-(4-methylpyrazol-1-yl)propanoate?
The IUPAC name of (3-carbamoylphenyl)methyl 3-(4-methylpyrazol-1-yl)propanoate (CID 60562435) is (3-carbamoylphenyl)methyl 3-(4-methylpyrazol-1-yl)propanoate.
What is the SMILES notation for (3-carbamoylphenyl)methyl 3-(4-methylpyrazol-1-yl)propanoate?
The canonical SMILES for (3-carbamoylphenyl)methyl 3-(4-methylpyrazol-1-yl)propanoate is Cc1cnn(CCC(=O)OCc2cccc(C(N)=O)c2)c1.
What is the InChIKey of (3-carbamoylphenyl)methyl 3-(4-methylpyrazol-1-yl)propanoate?
The InChIKey is HBCMIOODCFSBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-11-8-17-18(9-11)6-5-14(19)21-10-12-3-2-4-13(7-12)15(16)20/h2-4,7-9H,5-6,10H2,1H3,(H2,16,20).
What are the key properties of (3-carbamoylphenyl)methyl 3-(4-methylpyrazol-1-yl)propanoate?
(3-carbamoylphenyl)methyl 3-(4-methylpyrazol-1-yl)propanoate has a molecular weight of 287.32 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-carbamoylphenyl)methyl 3-(4-methylpyrazol-1-yl)propanoate is sourced from PubChem (CID 60562435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).