4-[(2,6-dimethoxybenzoyl)amino]-N-pentyl-1H-pyrazole-5-carboxamide

C18H24N4O4 — CID 118714297

IUPAC4-[(2,6-dimethoxybenzoyl)amino]-N-pentyl-1H-pyrazole-5-carboxamide
SMILESCCCCCNC(=O)c1[nH]ncc1NC(=O)c1c(OC)cccc1OC
InChIInChI=1S/C18H24N4O4/c1-4-5-6-10-19-18(24)16-12(11-20-22-16)21-17(23)15-13(25-2)8-7-9-14(15)26-3/h7-9,11H,4-6,10H2,1-3H3,(H,19,24)(H,20,22)(H,21,23)
InChIKeyNBQJSDZRPFLUGK-UHFFFAOYSA-N
MW360.41 g/mol
LogP2.60
Rot. Bonds9

About 4-[(2,6-dimethoxybenzoyl)amino]-N-pentyl-1H-pyrazole-5-carboxamide

4-[(2,6-dimethoxybenzoyl)amino]-N-pentyl-1H-pyrazole-5-carboxamide (PubChem CID 118714297) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is 4-[(2,6-dimethoxybenzoyl)amino]-N-pentyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[(2,6-dimethoxybenzoyl)amino]-N-pentyl-1H-pyrazole-5-carboxamide
PubChem CID118714297
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC Name4-[(2,6-dimethoxybenzoyl)amino]-N-pentyl-1H-pyrazole-5-carboxamide
SMILESCCCCCNC(=O)c1[nH]ncc1NC(=O)c1c(OC)cccc1OC
InChIInChI=1S/C18H24N4O4/c1-4-5-6-10-19-18(24)16-12(11-20-22-16)21-17(23)15-13(25-2)8-7-9-14(15)26-3/h7-9,11H,4-6,10H2,1-3H3,(H,19,24)(H,20,22)(H,21,23)
InChIKeyNBQJSDZRPFLUGK-UHFFFAOYSA-N
XLogP2.60
TPSA105.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclohexylmethyl)-4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxamide
CID 118714288
4-[(2-fluoro-6-methoxybenzoyl)amino]-N-[(4S)-1-hydroxyheptan-4-yl]-1H-pyrazole-5-carboxamide
CID 118297463
4-bromo-N-hexyl-1H-pyrazole-5-carboxamide
CID 19511210
4-[(2-fluoro-6-methoxybenzoyl)amino]-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide
CID 59733301
4-[(2,6-difluorobenzoyl)amino]-N-(2-propylpentyl)-1H-pyrazole-5-carboxamide
CID 70304735
4-[(2-fluoro-6-methoxybenzoyl)amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide
CID 59862670
4-[(2-chloro-6-methoxybenzoyl)amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide
CID 59862803
4-[(2-fluoro-6-methoxybenzoyl)amino]-N-[4-(methoxymethoxy)cyclohexyl]-1H-pyrazole-5-carboxamide;molecular hydrogen
CID 160503573
2-methoxy-N-tridecylbenzamide
CID 139819873
ethyl 4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylate
CID 59733474
2-bromo-3-methoxy-N-pentylbenzamide
CID 172648074
2,6-dimethoxy-N-(5-methyl-1H-indazol-6-yl)benzamide
CID 154835907

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethoxybenzoyl)amino]-N-pentyl-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-[(2,6-dimethoxybenzoyl)amino]-N-pentyl-1H-pyrazole-5-carboxamide (CID 118714297) is 4-[(2,6-dimethoxybenzoyl)amino]-N-pentyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-[(2,6-dimethoxybenzoyl)amino]-N-pentyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-[(2,6-dimethoxybenzoyl)amino]-N-pentyl-1H-pyrazole-5-carboxamide is CCCCCNC(=O)c1[nH]ncc1NC(=O)c1c(OC)cccc1OC.
What is the InChIKey of 4-[(2,6-dimethoxybenzoyl)amino]-N-pentyl-1H-pyrazole-5-carboxamide?
The InChIKey is NBQJSDZRPFLUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4/c1-4-5-6-10-19-18(24)16-12(11-20-22-16)21-17(23)15-13(25-2)8-7-9-14(15)26-3/h7-9,11H,4-6,10H2,1-3H3,(H,19,24)(H,20,22)(H,21,23).
What are the key properties of 4-[(2,6-dimethoxybenzoyl)amino]-N-pentyl-1H-pyrazole-5-carboxamide?
4-[(2,6-dimethoxybenzoyl)amino]-N-pentyl-1H-pyrazole-5-carboxamide has a molecular weight of 360.41 g/mol, XLogP of 2.60, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethoxybenzoyl)amino]-N-pentyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 118714297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).