1-methyl-4-[3-(5-methylpyrazol-1-yl)propylcarbamoyl]pyrazole-5-carboxylic acid

C13H17N5O3 — CID 19623863

IUPAC1-methyl-4-[3-(5-methylpyrazol-1-yl)propylcarbamoyl]pyrazole-5-carboxylic acid
SMILESCc1ccnn1CCCNC(=O)c1cnn(C)c1C(=O)O
InChIInChI=1S/C13H17N5O3/c1-9-4-6-15-18(9)7-3-5-14-12(19)10-8-16-17(2)11(10)13(20)21/h4,6,8H,3,5,7H2,1-2H3,(H,14,19)(H,20,21)
InChIKeyMQSFCGYKFBZYKL-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.44
Rot. Bonds6

About 1-methyl-4-[3-(5-methylpyrazol-1-yl)propylcarbamoyl]pyrazole-5-carboxylic acid

1-methyl-4-[3-(5-methylpyrazol-1-yl)propylcarbamoyl]pyrazole-5-carboxylic acid (PubChem CID 19623863) has the molecular formula C13H17N5O3 and a molecular weight of 291.31 g/mol. Its IUPAC name is 1-methyl-4-[3-(5-methylpyrazol-1-yl)propylcarbamoyl]pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-methyl-4-[3-(5-methylpyrazol-1-yl)propylcarbamoyl]pyrazole-5-carboxylic acid
PubChem CID19623863
Molecular FormulaC13H17N5O3
Molecular Weight291.31 g/mol
Exact Mass291.13
IUPAC Name1-methyl-4-[3-(5-methylpyrazol-1-yl)propylcarbamoyl]pyrazole-5-carboxylic acid
SMILESCc1ccnn1CCCNC(=O)c1cnn(C)c1C(=O)O
InChIInChI=1S/C13H17N5O3/c1-9-4-6-15-18(9)7-3-5-14-12(19)10-8-16-17(2)11(10)13(20)21/h4,6,8H,3,5,7H2,1-2H3,(H,14,19)(H,20,21)
InChIKeyMQSFCGYKFBZYKL-UHFFFAOYSA-N
XLogP0.44
TPSA102.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3-methoxypropylcarbamoyl)-1-methylpyrazole-5-carboxylic acid
CID 19623815
4-bromo-1,3-dimethyl-N-[3-(5-methylpyrazol-1-yl)propyl]pyrazole-5-carboxamide
CID 19480499
7-(4-methylphenyl)-N-[3-(5-methylpyrazol-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19327901
7-(difluoromethyl)-N-[3-(5-methylpyrazol-1-yl)propyl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19327919
1-methyl-N-[3-(5-methylpyrazol-1-yl)propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19480219
1-ethyl-3,5-dimethyl-N-[3-(5-methylpyrazol-1-yl)propyl]pyrazole-4-carboxamide
CID 19472186
2-(4-bromopyrazol-1-yl)-N-[3-(5-methylpyrazol-1-yl)propyl]propanamide
CID 19537660
2-(4-chloropyrazol-1-yl)-2-methyl-N-[3-(5-methylpyrazol-1-yl)propyl]propanamide
CID 19327891
3,4-dimethoxy-N-[3-(5-methylpyrazol-1-yl)propyl]benzamide
CID 19327875
ethyl 1-methyl-3-[3-(5-methylpyrazol-1-yl)propylcarbamoyl]pyrazole-5-carboxylate
CID 19267156
2-(4-bromo-5-methylpyrazol-1-yl)-N-[3-(5-methylpyrazol-1-yl)propyl]propanamide
CID 19535537
1-methyl-4-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazole-5-carboxylic acid
CID 19623851

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-(5-methylpyrazol-1-yl)propylcarbamoyl]pyrazole-5-carboxylic acid?
The IUPAC name of 1-methyl-4-[3-(5-methylpyrazol-1-yl)propylcarbamoyl]pyrazole-5-carboxylic acid (CID 19623863) is 1-methyl-4-[3-(5-methylpyrazol-1-yl)propylcarbamoyl]pyrazole-5-carboxylic acid.
What is the SMILES notation for 1-methyl-4-[3-(5-methylpyrazol-1-yl)propylcarbamoyl]pyrazole-5-carboxylic acid?
The canonical SMILES for 1-methyl-4-[3-(5-methylpyrazol-1-yl)propylcarbamoyl]pyrazole-5-carboxylic acid is Cc1ccnn1CCCNC(=O)c1cnn(C)c1C(=O)O.
What is the InChIKey of 1-methyl-4-[3-(5-methylpyrazol-1-yl)propylcarbamoyl]pyrazole-5-carboxylic acid?
The InChIKey is MQSFCGYKFBZYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O3/c1-9-4-6-15-18(9)7-3-5-14-12(19)10-8-16-17(2)11(10)13(20)21/h4,6,8H,3,5,7H2,1-2H3,(H,14,19)(H,20,21).
What are the key properties of 1-methyl-4-[3-(5-methylpyrazol-1-yl)propylcarbamoyl]pyrazole-5-carboxylic acid?
1-methyl-4-[3-(5-methylpyrazol-1-yl)propylcarbamoyl]pyrazole-5-carboxylic acid has a molecular weight of 291.31 g/mol, XLogP of 0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-(5-methylpyrazol-1-yl)propylcarbamoyl]pyrazole-5-carboxylic acid is sourced from PubChem (CID 19623863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).