1-methyl-4-[(4-piperidin-1-yl-2,1,3-benzoxadiazol-7-yl)carbamoyl]pyrazole-5-carboxylic acid

C17H18N6O4 — CID 19496427

IUPAC1-methyl-4-[(4-piperidin-1-yl-2,1,3-benzoxadiazol-7-yl)carbamoyl]pyrazole-5-carboxylic acid
SMILESCn1ncc(C(=O)Nc2ccc(N3CCCCC3)c3nonc23)c1C(=O)O
InChIInChI=1S/C17H18N6O4/c1-22-15(17(25)26)10(9-18-22)16(24)19-11-5-6-12(14-13(11)20-27-21-14)23-7-3-2-4-8-23/h5-6,9H,2-4,7-8H2,1H3,(H,19,24)(H,25,26)
InChIKeyYRNFWWQSNQRHCA-UHFFFAOYSA-N
MW370.37 g/mol
LogP1.90
Rot. Bonds4

About 1-methyl-4-[(4-piperidin-1-yl-2,1,3-benzoxadiazol-7-yl)carbamoyl]pyrazole-5-carboxylic acid

1-methyl-4-[(4-piperidin-1-yl-2,1,3-benzoxadiazol-7-yl)carbamoyl]pyrazole-5-carboxylic acid (PubChem CID 19496427) has the molecular formula C17H18N6O4 and a molecular weight of 370.37 g/mol. Its IUPAC name is 1-methyl-4-[(4-piperidin-1-yl-2,1,3-benzoxadiazol-7-yl)carbamoyl]pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-methyl-4-[(4-piperidin-1-yl-2,1,3-benzoxadiazol-7-yl)carbamoyl]pyrazole-5-carboxylic acid
PubChem CID19496427
Molecular FormulaC17H18N6O4
Molecular Weight370.37 g/mol
Exact Mass370.14
IUPAC Name1-methyl-4-[(4-piperidin-1-yl-2,1,3-benzoxadiazol-7-yl)carbamoyl]pyrazole-5-carboxylic acid
SMILESCn1ncc(C(=O)Nc2ccc(N3CCCCC3)c3nonc23)c1C(=O)O
InChIInChI=1S/C17H18N6O4/c1-22-15(17(25)26)10(9-18-22)16(24)19-11-5-6-12(14-13(11)20-27-21-14)23-7-3-2-4-8-23/h5-6,9H,2-4,7-8H2,1H3,(H,19,24)(H,25,26)
InChIKeyYRNFWWQSNQRHCA-UHFFFAOYSA-N
XLogP1.90
TPSA126.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-bromo-1-methyl-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)pyrazole-5-carboxamide
CID 4770573
2-[3-[(4-piperidin-1-yl-2,1,3-benzoxadiazol-7-yl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19501985
1-(2-fluorophenyl)-3-(4-piperidin-1-yl-2,1,3-benzoxadiazol-7-yl)urea
CID 17174433
2-methyl-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)benzamide
CID 17173694
4-[(2,4-dichlorophenyl)carbamoyl]-1-methylpyrazole-5-carboxylic acid
CID 19496071
4-[(5-carbamoyl-1-methylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-5-carboxylic acid
CID 19496258
1-methyl-4-[[2-(trifluoromethyl)phenyl]carbamoyl]pyrazole-5-carboxylic acid
CID 19496083
N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)cyclopentanecarboxamide
CID 752810
4-methoxy-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)benzamide
CID 17174256
2-methyl-N-(8-pyrrolidin-1-ylquinolin-5-yl)pyrazole-3-carboxamide
CID 131909202
N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)pyridine-3-carboxamide
CID 17173598
N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)pentanamide
CID 4088765

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(4-piperidin-1-yl-2,1,3-benzoxadiazol-7-yl)carbamoyl]pyrazole-5-carboxylic acid?
The IUPAC name of 1-methyl-4-[(4-piperidin-1-yl-2,1,3-benzoxadiazol-7-yl)carbamoyl]pyrazole-5-carboxylic acid (CID 19496427) is 1-methyl-4-[(4-piperidin-1-yl-2,1,3-benzoxadiazol-7-yl)carbamoyl]pyrazole-5-carboxylic acid.
What is the SMILES notation for 1-methyl-4-[(4-piperidin-1-yl-2,1,3-benzoxadiazol-7-yl)carbamoyl]pyrazole-5-carboxylic acid?
The canonical SMILES for 1-methyl-4-[(4-piperidin-1-yl-2,1,3-benzoxadiazol-7-yl)carbamoyl]pyrazole-5-carboxylic acid is Cn1ncc(C(=O)Nc2ccc(N3CCCCC3)c3nonc23)c1C(=O)O.
What is the InChIKey of 1-methyl-4-[(4-piperidin-1-yl-2,1,3-benzoxadiazol-7-yl)carbamoyl]pyrazole-5-carboxylic acid?
The InChIKey is YRNFWWQSNQRHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O4/c1-22-15(17(25)26)10(9-18-22)16(24)19-11-5-6-12(14-13(11)20-27-21-14)23-7-3-2-4-8-23/h5-6,9H,2-4,7-8H2,1H3,(H,19,24)(H,25,26).
What are the key properties of 1-methyl-4-[(4-piperidin-1-yl-2,1,3-benzoxadiazol-7-yl)carbamoyl]pyrazole-5-carboxylic acid?
1-methyl-4-[(4-piperidin-1-yl-2,1,3-benzoxadiazol-7-yl)carbamoyl]pyrazole-5-carboxylic acid has a molecular weight of 370.37 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(4-piperidin-1-yl-2,1,3-benzoxadiazol-7-yl)carbamoyl]pyrazole-5-carboxylic acid is sourced from PubChem (CID 19496427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).