5-[(2,2-dimethyl-3-phenylmethoxycyclobutyl)carbamoyl]-1-methylpyrazole-3-carboxylic acid

C19H23N3O4 — CID 146137042

IUPAC5-[(2,2-dimethyl-3-phenylmethoxycyclobutyl)carbamoyl]-1-methylpyrazole-3-carboxylic acid
SMILESCn1nc(C(=O)O)cc1C(=O)NC1CC(OCc2ccccc2)C1(C)C
InChIInChI=1S/C19H23N3O4/c1-19(2)15(10-16(19)26-11-12-7-5-4-6-8-12)20-17(23)14-9-13(18(24)25)21-22(14)3/h4-9,15-16H,10-11H2,1-3H3,(H,20,23)(H,24,25)
InChIKeyNCQROSWNYHUJNY-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.23
Rot. Bonds6

About 5-[(2,2-dimethyl-3-phenylmethoxycyclobutyl)carbamoyl]-1-methylpyrazole-3-carboxylic acid

5-[(2,2-dimethyl-3-phenylmethoxycyclobutyl)carbamoyl]-1-methylpyrazole-3-carboxylic acid (PubChem CID 146137042) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 5-[(2,2-dimethyl-3-phenylmethoxycyclobutyl)carbamoyl]-1-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2,2-dimethyl-3-phenylmethoxycyclobutyl)carbamoyl]-1-methylpyrazole-3-carboxylic acid
PubChem CID146137042
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name5-[(2,2-dimethyl-3-phenylmethoxycyclobutyl)carbamoyl]-1-methylpyrazole-3-carboxylic acid
SMILESCn1nc(C(=O)O)cc1C(=O)NC1CC(OCc2ccccc2)C1(C)C
InChIInChI=1S/C19H23N3O4/c1-19(2)15(10-16(19)26-11-12-7-5-4-6-8-12)20-17(23)14-9-13(18(24)25)21-22(14)3/h4-9,15-16H,10-11H2,1-3H3,(H,20,23)(H,24,25)
InChIKeyNCQROSWNYHUJNY-UHFFFAOYSA-N
XLogP2.23
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2,2-dimethyl-3-phenylmethoxycyclobutan-1-amine
CID 66358982
3-[(1S,3S)-2,2-dimethyl-3-phenylmethoxycyclobutyl]-1-[(3-hydroxycyclobutyl)methyl]-1-methylurea
CID 100661835
3-O-benzyl 5-O-methyl 1-methylpyrazole-3,5-dicarboxylate
CID 10956696
1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-[[(1R,2R)-2-phenylmethoxycyclohexyl]carbamoyl]pyrazole-3-carboxylic acid
CID 58646681
1-methyl-N-[(1R,2R)-2-phenylmethoxycyclohexyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 70782413
N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide
CID 113252924
3-N-(3-ethoxy-2,2-diethylcyclobutyl)-1-phenylpyrazole-3,5-dicarboxamide
CID 119146327
5-[(4-fluorophenyl)methylcarbamoyl]-1-methylpyrazole-3-carboxylic acid
CID 4777142
2-iodo-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide
CID 113252946
5-[(3-ethoxy-2,2-dimethylcyclobutyl)carbamoyl]thiophene-2-carboxylic acid
CID 103790354
5-[(3-ethoxy-2,2-diethylcyclobutyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120689155
6-amino-N-(3-ethoxy-2,2-dimethylcyclobutyl)pyridine-2-carboxamide
CID 103832164

Frequently Asked Questions

What is the IUPAC name of 5-[(2,2-dimethyl-3-phenylmethoxycyclobutyl)carbamoyl]-1-methylpyrazole-3-carboxylic acid?
The IUPAC name of 5-[(2,2-dimethyl-3-phenylmethoxycyclobutyl)carbamoyl]-1-methylpyrazole-3-carboxylic acid (CID 146137042) is 5-[(2,2-dimethyl-3-phenylmethoxycyclobutyl)carbamoyl]-1-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 5-[(2,2-dimethyl-3-phenylmethoxycyclobutyl)carbamoyl]-1-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 5-[(2,2-dimethyl-3-phenylmethoxycyclobutyl)carbamoyl]-1-methylpyrazole-3-carboxylic acid is Cn1nc(C(=O)O)cc1C(=O)NC1CC(OCc2ccccc2)C1(C)C.
What is the InChIKey of 5-[(2,2-dimethyl-3-phenylmethoxycyclobutyl)carbamoyl]-1-methylpyrazole-3-carboxylic acid?
The InChIKey is NCQROSWNYHUJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-19(2)15(10-16(19)26-11-12-7-5-4-6-8-12)20-17(23)14-9-13(18(24)25)21-22(14)3/h4-9,15-16H,10-11H2,1-3H3,(H,20,23)(H,24,25).
What are the key properties of 5-[(2,2-dimethyl-3-phenylmethoxycyclobutyl)carbamoyl]-1-methylpyrazole-3-carboxylic acid?
5-[(2,2-dimethyl-3-phenylmethoxycyclobutyl)carbamoyl]-1-methylpyrazole-3-carboxylic acid has a molecular weight of 357.41 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,2-dimethyl-3-phenylmethoxycyclobutyl)carbamoyl]-1-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 146137042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).