1-(1-adamantyl)-3-[(4-chloro-1,3-dimethylpyrazole-5-carbonyl)amino]urea

C17H24ClN5O2 — CID 2957886

IUPAC1-(1-adamantyl)-3-[(4-chloro-1,3-dimethylpyrazole-5-carbonyl)amino]urea
SMILESCc1nn(C)c(C(=O)NNC(=O)NC23CC4CC(CC(C4)C2)C3)c1Cl
InChIInChI=1S/C17H24ClN5O2/c1-9-13(18)14(23(2)22-9)15(24)20-21-16(25)19-17-6-10-3-11(7-17)5-12(4-10)8-17/h10-12H,3-8H2,1-2H3,(H,20,24)(H2,19,21,25)
InChIKeyFUWCSYDLDOZBBB-UHFFFAOYSA-N
MW365.87 g/mol
LogP2.29
Rot. Bonds2

About 1-(1-adamantyl)-3-[(4-chloro-1,3-dimethylpyrazole-5-carbonyl)amino]urea

1-(1-adamantyl)-3-[(4-chloro-1,3-dimethylpyrazole-5-carbonyl)amino]urea (PubChem CID 2957886) has the molecular formula C17H24ClN5O2 and a molecular weight of 365.87 g/mol. Its IUPAC name is 1-(1-adamantyl)-3-[(4-chloro-1,3-dimethylpyrazole-5-carbonyl)amino]urea.

Molecular Properties

Compound Name1-(1-adamantyl)-3-[(4-chloro-1,3-dimethylpyrazole-5-carbonyl)amino]urea
PubChem CID2957886
Molecular FormulaC17H24ClN5O2
Molecular Weight365.87 g/mol
Exact Mass365.16
IUPAC Name1-(1-adamantyl)-3-[(4-chloro-1,3-dimethylpyrazole-5-carbonyl)amino]urea
SMILESCc1nn(C)c(C(=O)NNC(=O)NC23CC4CC(CC(C4)C2)C3)c1Cl
InChIInChI=1S/C17H24ClN5O2/c1-9-13(18)14(23(2)22-9)15(24)20-21-16(25)19-17-6-10-3-11(7-17)5-12(4-10)8-17/h10-12H,3-8H2,1-2H3,(H,20,24)(H2,19,21,25)
InChIKeyFUWCSYDLDOZBBB-UHFFFAOYSA-N
XLogP2.29
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.87
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-3-[(4-chloro-1,3-dimethylpyrazole-5-carbonyl)amino]urea?
The IUPAC name of 1-(1-adamantyl)-3-[(4-chloro-1,3-dimethylpyrazole-5-carbonyl)amino]urea (CID 2957886) is 1-(1-adamantyl)-3-[(4-chloro-1,3-dimethylpyrazole-5-carbonyl)amino]urea.
What is the SMILES notation for 1-(1-adamantyl)-3-[(4-chloro-1,3-dimethylpyrazole-5-carbonyl)amino]urea?
The canonical SMILES for 1-(1-adamantyl)-3-[(4-chloro-1,3-dimethylpyrazole-5-carbonyl)amino]urea is Cc1nn(C)c(C(=O)NNC(=O)NC23CC4CC(CC(C4)C2)C3)c1Cl.
What is the InChIKey of 1-(1-adamantyl)-3-[(4-chloro-1,3-dimethylpyrazole-5-carbonyl)amino]urea?
The InChIKey is FUWCSYDLDOZBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN5O2/c1-9-13(18)14(23(2)22-9)15(24)20-21-16(25)19-17-6-10-3-11(7-17)5-12(4-10)8-17/h10-12H,3-8H2,1-2H3,(H,20,24)(H2,19,21,25).
What are the key properties of 1-(1-adamantyl)-3-[(4-chloro-1,3-dimethylpyrazole-5-carbonyl)amino]urea?
1-(1-adamantyl)-3-[(4-chloro-1,3-dimethylpyrazole-5-carbonyl)amino]urea has a molecular weight of 365.87 g/mol, XLogP of 2.29, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-3-[(4-chloro-1,3-dimethylpyrazole-5-carbonyl)amino]urea is sourced from PubChem (CID 2957886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).