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

C20H26N4O4 — CID 118714283

IUPACN-cycloheptyl-4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxamide
SMILESCOc1cccc(OC)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCCCCC1
InChIInChI=1S/C20H26N4O4/c1-27-15-10-7-11-16(28-2)17(15)19(25)23-14-12-21-24-18(14)20(26)22-13-8-5-3-4-6-9-13/h7,10-13H,3-6,8-9H2,1-2H3,(H,21,24)(H,22,26)(H,23,25)
InChIKeyXVHXYPREJYNIQE-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.13
Rot. Bonds6

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

N-cycloheptyl-4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxamide (PubChem CID 118714283) has the molecular formula C20H26N4O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is N-cycloheptyl-4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxamide
PubChem CID118714283
Molecular FormulaC20H26N4O4
Molecular Weight386.45 g/mol
Exact Mass386.20
IUPAC NameN-cycloheptyl-4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxamide
SMILESCOc1cccc(OC)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCCCCC1
InChIInChI=1S/C20H26N4O4/c1-27-15-10-7-11-16(28-2)17(15)19(25)23-14-12-21-24-18(14)20(26)22-13-8-5-3-4-6-9-13/h7,10-13H,3-6,8-9H2,1-2H3,(H,21,24)(H,22,26)(H,23,25)
InChIKeyXVHXYPREJYNIQE-UHFFFAOYSA-N
XLogP3.13
TPSA105.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-cycloheptyl-4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxamide (CID 118714283) is N-cycloheptyl-4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-cycloheptyl-4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-cycloheptyl-4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxamide is COc1cccc(OC)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxamide?
The InChIKey is XVHXYPREJYNIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4/c1-27-15-10-7-11-16(28-2)17(15)19(25)23-14-12-21-24-18(14)20(26)22-13-8-5-3-4-6-9-13/h7,10-13H,3-6,8-9H2,1-2H3,(H,21,24)(H,22,26)(H,23,25).
What are the key properties of N-cycloheptyl-4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxamide?
N-cycloheptyl-4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxamide has a molecular weight of 386.45 g/mol, XLogP of 3.13, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 118714283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).