2-[3-oxo-3-[(1-propylbenzimidazol-2-yl)amino]propyl]pyrazole-3-carboxylic acid

C17H19N5O3 — CID 19492211

IUPAC2-[3-oxo-3-[(1-propylbenzimidazol-2-yl)amino]propyl]pyrazole-3-carboxylic acid
SMILESCCCn1c(NC(=O)CCn2nccc2C(=O)O)nc2ccccc21
InChIInChI=1S/C17H19N5O3/c1-2-10-21-13-6-4-3-5-12(13)19-17(21)20-15(23)8-11-22-14(16(24)25)7-9-18-22/h3-7,9H,2,8,10-11H2,1H3,(H,24,25)(H,19,20,23)
InChIKeyRMYMMYGXGQAOEN-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.37
Rot. Bonds7

About 2-[3-oxo-3-[(1-propylbenzimidazol-2-yl)amino]propyl]pyrazole-3-carboxylic acid

2-[3-oxo-3-[(1-propylbenzimidazol-2-yl)amino]propyl]pyrazole-3-carboxylic acid (PubChem CID 19492211) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 2-[3-oxo-3-[(1-propylbenzimidazol-2-yl)amino]propyl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name2-[3-oxo-3-[(1-propylbenzimidazol-2-yl)amino]propyl]pyrazole-3-carboxylic acid
PubChem CID19492211
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name2-[3-oxo-3-[(1-propylbenzimidazol-2-yl)amino]propyl]pyrazole-3-carboxylic acid
SMILESCCCn1c(NC(=O)CCn2nccc2C(=O)O)nc2ccccc21
InChIInChI=1S/C17H19N5O3/c1-2-10-21-13-6-4-3-5-12(13)19-17(21)20-15(23)8-11-22-14(16(24)25)7-9-18-22/h3-7,9H,2,8,10-11H2,1H3,(H,24,25)(H,19,20,23)
InChIKeyRMYMMYGXGQAOEN-UHFFFAOYSA-N
XLogP2.37
TPSA102.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19482801
N-(1-propylbenzimidazol-2-yl)nonanamide
CID 162645010
2-[5-[(1-propylbenzimidazol-2-yl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19487608
4-methoxy-N-(1-propylbenzimidazol-2-yl)butanamide
CID 35280168
3-(4-methylphenoxy)-N-(1-propylbenzimidazol-2-yl)propanamide
CID 8914517
2-propylpyrazole-3-carboxylic acid
CID 7017775
4-(5-methylthiophen-2-yl)-4-oxo-N-(1-propylbenzimidazol-2-yl)butanamide
CID 30178636
N-(1-propylbenzimidazol-2-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17492735
2-(2-oxoquinoxalin-1-yl)-N-(1-propylbenzimidazol-2-yl)acetamide
CID 16585553
2-[3-(4-ethylanilino)-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19492092
2-[(1-propylbenzimidazol-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 119179377
3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)-N-(1-propylbenzimidazol-2-yl)propanamide
CID 24509123

Frequently Asked Questions

What is the IUPAC name of 2-[3-oxo-3-[(1-propylbenzimidazol-2-yl)amino]propyl]pyrazole-3-carboxylic acid?
The IUPAC name of 2-[3-oxo-3-[(1-propylbenzimidazol-2-yl)amino]propyl]pyrazole-3-carboxylic acid (CID 19492211) is 2-[3-oxo-3-[(1-propylbenzimidazol-2-yl)amino]propyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 2-[3-oxo-3-[(1-propylbenzimidazol-2-yl)amino]propyl]pyrazole-3-carboxylic acid?
The canonical SMILES for 2-[3-oxo-3-[(1-propylbenzimidazol-2-yl)amino]propyl]pyrazole-3-carboxylic acid is CCCn1c(NC(=O)CCn2nccc2C(=O)O)nc2ccccc21.
What is the InChIKey of 2-[3-oxo-3-[(1-propylbenzimidazol-2-yl)amino]propyl]pyrazole-3-carboxylic acid?
The InChIKey is RMYMMYGXGQAOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-2-10-21-13-6-4-3-5-12(13)19-17(21)20-15(23)8-11-22-14(16(24)25)7-9-18-22/h3-7,9H,2,8,10-11H2,1H3,(H,24,25)(H,19,20,23).
What are the key properties of 2-[3-oxo-3-[(1-propylbenzimidazol-2-yl)amino]propyl]pyrazole-3-carboxylic acid?
2-[3-oxo-3-[(1-propylbenzimidazol-2-yl)amino]propyl]pyrazole-3-carboxylic acid has a molecular weight of 341.37 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-oxo-3-[(1-propylbenzimidazol-2-yl)amino]propyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 19492211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).