3-[[3-cyclopropyl-1-(4-methoxyphenyl)pyrazol-5-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid

C19H19N5O4 — CID 29097064

IUPAC3-[[3-cyclopropyl-1-(4-methoxyphenyl)pyrazol-5-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
SMILESCOc1ccc(-n2nc(C3CC3)cc2NC(=O)c2nn(C)cc2C(=O)O)cc1
InChIInChI=1S/C19H19N5O4/c1-23-10-14(19(26)27)17(22-23)18(25)20-16-9-15(11-3-4-11)21-24(16)12-5-7-13(28-2)8-6-12/h5-11H,3-4H2,1-2H3,(H,20,25)(H,26,27)
InChIKeyBTMNUUYPFBSKFI-UHFFFAOYSA-N
MW381.39 g/mol
LogP2.44
Rot. Bonds6

About 3-[[3-cyclopropyl-1-(4-methoxyphenyl)pyrazol-5-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid

3-[[3-cyclopropyl-1-(4-methoxyphenyl)pyrazol-5-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid (PubChem CID 29097064) has the molecular formula C19H19N5O4 and a molecular weight of 381.39 g/mol. Its IUPAC name is 3-[[3-cyclopropyl-1-(4-methoxyphenyl)pyrazol-5-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-[[3-cyclopropyl-1-(4-methoxyphenyl)pyrazol-5-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
PubChem CID29097064
Molecular FormulaC19H19N5O4
Molecular Weight381.39 g/mol
Exact Mass381.14
IUPAC Name3-[[3-cyclopropyl-1-(4-methoxyphenyl)pyrazol-5-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
SMILESCOc1ccc(-n2nc(C3CC3)cc2NC(=O)c2nn(C)cc2C(=O)O)cc1
InChIInChI=1S/C19H19N5O4/c1-23-10-14(19(26)27)17(22-23)18(25)20-16-9-15(11-3-4-11)21-24(16)12-5-7-13(28-2)8-6-12/h5-11H,3-4H2,1-2H3,(H,20,25)(H,26,27)
InChIKeyBTMNUUYPFBSKFI-UHFFFAOYSA-N
XLogP2.44
TPSA111.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 30777670
3-cyclopropyl-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-1-phenylpyrazole-5-carboxamide
CID 16557342
N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 51111472
N-(3-cyclopropyl-1-phenylpyrazol-5-yl)pyridine-4-carboxamide
CID 71943773
2-chloro-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)acetamide
CID 2778369
N-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-methoxybenzamide
CID 134797678
(3-cyclopropyl-1-phenylpyrazol-5-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 9327914
5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-4-carboxylic acid
CID 63173747
5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-3-carboxylic acid
CID 82089498
3-(cyclopropylcarbamoyl)-1-methylpyrazole-4-carboxylic acid
CID 15679514
3-chloro-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)benzamide
CID 134797164
3-cyclopropyl-N-(3-methoxyphenyl)-1-phenylpyrazole-5-carboxamide
CID 27167430

Frequently Asked Questions

What is the IUPAC name of 3-[[3-cyclopropyl-1-(4-methoxyphenyl)pyrazol-5-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid?
The IUPAC name of 3-[[3-cyclopropyl-1-(4-methoxyphenyl)pyrazol-5-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid (CID 29097064) is 3-[[3-cyclopropyl-1-(4-methoxyphenyl)pyrazol-5-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid.
What is the SMILES notation for 3-[[3-cyclopropyl-1-(4-methoxyphenyl)pyrazol-5-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid?
The canonical SMILES for 3-[[3-cyclopropyl-1-(4-methoxyphenyl)pyrazol-5-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid is COc1ccc(-n2nc(C3CC3)cc2NC(=O)c2nn(C)cc2C(=O)O)cc1.
What is the InChIKey of 3-[[3-cyclopropyl-1-(4-methoxyphenyl)pyrazol-5-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid?
The InChIKey is BTMNUUYPFBSKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O4/c1-23-10-14(19(26)27)17(22-23)18(25)20-16-9-15(11-3-4-11)21-24(16)12-5-7-13(28-2)8-6-12/h5-11H,3-4H2,1-2H3,(H,20,25)(H,26,27).
What are the key properties of 3-[[3-cyclopropyl-1-(4-methoxyphenyl)pyrazol-5-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid?
3-[[3-cyclopropyl-1-(4-methoxyphenyl)pyrazol-5-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid has a molecular weight of 381.39 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-cyclopropyl-1-(4-methoxyphenyl)pyrazol-5-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 29097064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).