4-[(2,6-dimethoxybenzoyl)amino]-N-(3-propan-2-yloxypropyl)-1H-pyrazole-5-carboxamide

C19H26N4O5 — CID 118714298

IUPAC4-[(2,6-dimethoxybenzoyl)amino]-N-(3-propan-2-yloxypropyl)-1H-pyrazole-5-carboxamide
SMILESCOc1cccc(OC)c1C(=O)Nc1cn[nH]c1C(=O)NCCCOC(C)C
InChIInChI=1S/C19H26N4O5/c1-12(2)28-10-6-9-20-19(25)17-13(11-21-23-17)22-18(24)16-14(26-3)7-5-8-15(16)27-4/h5,7-8,11-12H,6,9-10H2,1-4H3,(H,20,25)(H,21,23)(H,22,24)
InChIKeyDEDDSEFDSDYLPC-UHFFFAOYSA-N
MW390.44 g/mol
LogP2.22
Rot. Bonds10

About 4-[(2,6-dimethoxybenzoyl)amino]-N-(3-propan-2-yloxypropyl)-1H-pyrazole-5-carboxamide

4-[(2,6-dimethoxybenzoyl)amino]-N-(3-propan-2-yloxypropyl)-1H-pyrazole-5-carboxamide (PubChem CID 118714298) has the molecular formula C19H26N4O5 and a molecular weight of 390.44 g/mol. Its IUPAC name is 4-[(2,6-dimethoxybenzoyl)amino]-N-(3-propan-2-yloxypropyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[(2,6-dimethoxybenzoyl)amino]-N-(3-propan-2-yloxypropyl)-1H-pyrazole-5-carboxamide
PubChem CID118714298
Molecular FormulaC19H26N4O5
Molecular Weight390.44 g/mol
Exact Mass390.19
IUPAC Name4-[(2,6-dimethoxybenzoyl)amino]-N-(3-propan-2-yloxypropyl)-1H-pyrazole-5-carboxamide
SMILESCOc1cccc(OC)c1C(=O)Nc1cn[nH]c1C(=O)NCCCOC(C)C
InChIInChI=1S/C19H26N4O5/c1-12(2)28-10-6-9-20-19(25)17-13(11-21-23-17)22-18(24)16-14(26-3)7-5-8-15(16)27-4/h5,7-8,11-12H,6,9-10H2,1-4H3,(H,20,25)(H,21,23)(H,22,24)
InChIKeyDEDDSEFDSDYLPC-UHFFFAOYSA-N
XLogP2.22
TPSA114.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethoxybenzoyl)amino]-N-(3-propan-2-yloxypropyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-[(2,6-dimethoxybenzoyl)amino]-N-(3-propan-2-yloxypropyl)-1H-pyrazole-5-carboxamide (CID 118714298) is 4-[(2,6-dimethoxybenzoyl)amino]-N-(3-propan-2-yloxypropyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-[(2,6-dimethoxybenzoyl)amino]-N-(3-propan-2-yloxypropyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-[(2,6-dimethoxybenzoyl)amino]-N-(3-propan-2-yloxypropyl)-1H-pyrazole-5-carboxamide is COc1cccc(OC)c1C(=O)Nc1cn[nH]c1C(=O)NCCCOC(C)C.
What is the InChIKey of 4-[(2,6-dimethoxybenzoyl)amino]-N-(3-propan-2-yloxypropyl)-1H-pyrazole-5-carboxamide?
The InChIKey is DEDDSEFDSDYLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O5/c1-12(2)28-10-6-9-20-19(25)17-13(11-21-23-17)22-18(24)16-14(26-3)7-5-8-15(16)27-4/h5,7-8,11-12H,6,9-10H2,1-4H3,(H,20,25)(H,21,23)(H,22,24).
What are the key properties of 4-[(2,6-dimethoxybenzoyl)amino]-N-(3-propan-2-yloxypropyl)-1H-pyrazole-5-carboxamide?
4-[(2,6-dimethoxybenzoyl)amino]-N-(3-propan-2-yloxypropyl)-1H-pyrazole-5-carboxamide has a molecular weight of 390.44 g/mol, XLogP of 2.22, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethoxybenzoyl)amino]-N-(3-propan-2-yloxypropyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 118714298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).