4-[amino(1,4-oxazepane-4-carbonyl)amino]-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide

C16H26N6O4 — CID 143263592

IUPAC4-[amino(1,4-oxazepane-4-carbonyl)amino]-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide
SMILESNN(C(=O)N1CCCOCC1)c1cn[nH]c1C(=O)NC1CCC(O)CC1
InChIInChI=1S/C16H26N6O4/c17-22(16(25)21-6-1-8-26-9-7-21)13-10-18-20-14(13)15(24)19-11-2-4-12(23)5-3-11/h10-12,23H,1-9,17H2,(H,18,20)(H,19,24)
InChIKeyKGDQPQLFOCAVBY-UHFFFAOYSA-N
MW366.42 g/mol
LogP-0.03
Rot. Bonds3

About 4-[amino(1,4-oxazepane-4-carbonyl)amino]-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide

4-[amino(1,4-oxazepane-4-carbonyl)amino]-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide (PubChem CID 143263592) has the molecular formula C16H26N6O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is 4-[amino(1,4-oxazepane-4-carbonyl)amino]-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[amino(1,4-oxazepane-4-carbonyl)amino]-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide
PubChem CID143263592
Molecular FormulaC16H26N6O4
Molecular Weight366.42 g/mol
Exact Mass366.20
IUPAC Name4-[amino(1,4-oxazepane-4-carbonyl)amino]-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide
SMILESNN(C(=O)N1CCCOCC1)c1cn[nH]c1C(=O)NC1CCC(O)CC1
InChIInChI=1S/C16H26N6O4/c17-22(16(25)21-6-1-8-26-9-7-21)13-10-18-20-14(13)15(24)19-11-2-4-12(23)5-3-11/h10-12,23H,1-9,17H2,(H,18,20)(H,19,24)
InChIKeyKGDQPQLFOCAVBY-UHFFFAOYSA-N
XLogP-0.03
TPSA136.81 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 5-0.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[amino(1,4-oxazepane-4-carbonyl)amino]-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-[amino(1,4-oxazepane-4-carbonyl)amino]-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide (CID 143263592) is 4-[amino(1,4-oxazepane-4-carbonyl)amino]-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-[amino(1,4-oxazepane-4-carbonyl)amino]-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-[amino(1,4-oxazepane-4-carbonyl)amino]-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide is NN(C(=O)N1CCCOCC1)c1cn[nH]c1C(=O)NC1CCC(O)CC1.
What is the InChIKey of 4-[amino(1,4-oxazepane-4-carbonyl)amino]-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide?
The InChIKey is KGDQPQLFOCAVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O4/c17-22(16(25)21-6-1-8-26-9-7-21)13-10-18-20-14(13)15(24)19-11-2-4-12(23)5-3-11/h10-12,23H,1-9,17H2,(H,18,20)(H,19,24).
What are the key properties of 4-[amino(1,4-oxazepane-4-carbonyl)amino]-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide?
4-[amino(1,4-oxazepane-4-carbonyl)amino]-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide has a molecular weight of 366.42 g/mol, XLogP of -0.03, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino(1,4-oxazepane-4-carbonyl)amino]-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 143263592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).