1-[2-[1-(dipentylamino)propan-2-ylamino]-2-oxoethyl]pyrazole-3-carboxylic acid

C19H34N4O3 — CID 19502162

IUPAC1-[2-[1-(dipentylamino)propan-2-ylamino]-2-oxoethyl]pyrazole-3-carboxylic acid
SMILESCCCCCN(CCCCC)CC(C)NC(=O)Cn1ccc(C(=O)O)n1
InChIInChI=1S/C19H34N4O3/c1-4-6-8-11-22(12-9-7-5-2)14-16(3)20-18(24)15-23-13-10-17(21-23)19(25)26/h10,13,16H,4-9,11-12,14-15H2,1-3H3,(H,20,24)(H,25,26)
InChIKeyAWQIRXGCQYMFRN-UHFFFAOYSA-N
MW366.51 g/mol
LogP2.77
Rot. Bonds14

About 1-[2-[1-(dipentylamino)propan-2-ylamino]-2-oxoethyl]pyrazole-3-carboxylic acid

1-[2-[1-(dipentylamino)propan-2-ylamino]-2-oxoethyl]pyrazole-3-carboxylic acid (PubChem CID 19502162) has the molecular formula C19H34N4O3 and a molecular weight of 366.51 g/mol. Its IUPAC name is 1-[2-[1-(dipentylamino)propan-2-ylamino]-2-oxoethyl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-[1-(dipentylamino)propan-2-ylamino]-2-oxoethyl]pyrazole-3-carboxylic acid
PubChem CID19502162
Molecular FormulaC19H34N4O3
Molecular Weight366.51 g/mol
Exact Mass366.26
IUPAC Name1-[2-[1-(dipentylamino)propan-2-ylamino]-2-oxoethyl]pyrazole-3-carboxylic acid
SMILESCCCCCN(CCCCC)CC(C)NC(=O)Cn1ccc(C(=O)O)n1
InChIInChI=1S/C19H34N4O3/c1-4-6-8-11-22(12-9-7-5-2)14-16(3)20-18(24)15-23-13-10-17(21-23)19(25)26/h10,13,16H,4-9,11-12,14-15H2,1-3H3,(H,20,24)(H,25,26)
InChIKeyAWQIRXGCQYMFRN-UHFFFAOYSA-N
XLogP2.77
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(butan-2-ylamino)-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19624158
1-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-3-carboxylic acid
CID 19624153
1-[2-oxo-2-[[(1S)-1-phenylpropyl]amino]ethyl]pyrazole-3-carboxylic acid
CID 29089973
1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(dipentylamino)propan-2-yl]pyrazole-3-carboxamide
CID 19270531
1-[2-oxo-2-[1-(4-propylphenyl)ethylamino]ethyl]pyrazole-3-carboxylic acid
CID 19502144
1-[2-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 28848692
N-[1-(dipentylamino)propan-2-yl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19521888
2-(3-aminopyrazol-1-yl)-N-hexan-2-ylacetamide
CID 62197855
1-[2-(2,6-dimethylanilino)-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19502091
1-[2-[1-(4-methoxyphenyl)ethylamino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19624233
N-[1-(dipentylamino)propan-2-yl]-2-ethylpyrazole-3-carboxamide
CID 19475353
2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[1-(dipentylamino)propan-2-yl]acetamide
CID 19517493

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(dipentylamino)propan-2-ylamino]-2-oxoethyl]pyrazole-3-carboxylic acid?
The IUPAC name of 1-[2-[1-(dipentylamino)propan-2-ylamino]-2-oxoethyl]pyrazole-3-carboxylic acid (CID 19502162) is 1-[2-[1-(dipentylamino)propan-2-ylamino]-2-oxoethyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-[2-[1-(dipentylamino)propan-2-ylamino]-2-oxoethyl]pyrazole-3-carboxylic acid?
The canonical SMILES for 1-[2-[1-(dipentylamino)propan-2-ylamino]-2-oxoethyl]pyrazole-3-carboxylic acid is CCCCCN(CCCCC)CC(C)NC(=O)Cn1ccc(C(=O)O)n1.
What is the InChIKey of 1-[2-[1-(dipentylamino)propan-2-ylamino]-2-oxoethyl]pyrazole-3-carboxylic acid?
The InChIKey is AWQIRXGCQYMFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O3/c1-4-6-8-11-22(12-9-7-5-2)14-16(3)20-18(24)15-23-13-10-17(21-23)19(25)26/h10,13,16H,4-9,11-12,14-15H2,1-3H3,(H,20,24)(H,25,26).
What are the key properties of 1-[2-[1-(dipentylamino)propan-2-ylamino]-2-oxoethyl]pyrazole-3-carboxylic acid?
1-[2-[1-(dipentylamino)propan-2-ylamino]-2-oxoethyl]pyrazole-3-carboxylic acid has a molecular weight of 366.51 g/mol, XLogP of 2.77, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(dipentylamino)propan-2-ylamino]-2-oxoethyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 19502162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).