3-[[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid

C17H19N3O4 — CID 56761980

IUPAC3-[[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCOc1cccc(-c2cc(NC(=O)C3C(C(=O)O)C3(C)C)n[nH]2)c1
InChIInChI=1S/C17H19N3O4/c1-17(2)13(14(17)16(22)23)15(21)18-12-8-11(19-20-12)9-5-4-6-10(7-9)24-3/h4-8,13-14H,1-3H3,(H,22,23)(H2,18,19,20,21)
InChIKeyOBVLEOQIECVXLI-UHFFFAOYSA-N
MW329.36 g/mol
LogP2.38
Rot. Bonds5

About 3-[[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid

3-[[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid (PubChem CID 56761980) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is 3-[[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
PubChem CID56761980
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name3-[[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCOc1cccc(-c2cc(NC(=O)C3C(C(=O)O)C3(C)C)n[nH]2)c1
InChIInChI=1S/C17H19N3O4/c1-17(2)13(14(17)16(22)23)15(21)18-12-8-11(19-20-12)9-5-4-6-10(7-9)24-3/h4-8,13-14H,1-3H3,(H,22,23)(H2,18,19,20,21)
InChIKeyOBVLEOQIECVXLI-UHFFFAOYSA-N
XLogP2.38
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1R,3R)-3-[[3-(carboxymethoxy)phenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 95390965
1-(3-methoxyphenyl)-3-(5-phenyl-1H-pyrazol-3-yl)thiourea
CID 935371
4-(azepan-1-yl)-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]butanamide
CID 25029479
N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-4-morpholin-4-ylbutanamide
CID 25029480
1-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]piperidine-4-carboxylic acid
CID 56771437
N-[5-(3-nitrophenyl)-1H-pyrazol-3-yl]acetamide
CID 71934897
N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-2-oxopropanamide
CID 110478313
3-[(3-hydroxyphenyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 53368437
5-[(3-methoxyphenoxy)methyl]-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)furan-2-carboxamide
CID 75358510
cis-(1R,3S)-3-[(2,6-dibromophenyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 114093278
4-[[6-[[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]amino]-4-phenylsulfanyl-2-pyridinyl]amino]cyclohexan-1-ol
CID 144988185
3-[(2-methoxy-5-methylphenyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64836891

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The IUPAC name of 3-[[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid (CID 56761980) is 3-[[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 3-[[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The canonical SMILES for 3-[[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid is COc1cccc(-c2cc(NC(=O)C3C(C(=O)O)C3(C)C)n[nH]2)c1.
What is the InChIKey of 3-[[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The InChIKey is OBVLEOQIECVXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-17(2)13(14(17)16(22)23)15(21)18-12-8-11(19-20-12)9-5-4-6-10(7-9)24-3/h4-8,13-14H,1-3H3,(H,22,23)(H2,18,19,20,21).
What are the key properties of 3-[[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
3-[[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid has a molecular weight of 329.36 g/mol, XLogP of 2.38, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 56761980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).