N-(2-adamantyl)-5-chloro-1H-pyrazole-4-carboxamide

C14H18ClN3O — CID 69160904

IUPACN-(2-adamantyl)-5-chloro-1H-pyrazole-4-carboxamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)c1cn[nH]c1Cl
InChIInChI=1S/C14H18ClN3O/c15-13-11(6-16-18-13)14(19)17-12-9-2-7-1-8(4-9)5-10(12)3-7/h6-10,12H,1-5H2,(H,16,18)(H,17,19)
InChIKeyJXWAWYNWTTZKJP-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.62
Rot. Bonds2

About N-(2-adamantyl)-5-chloro-1H-pyrazole-4-carboxamide

N-(2-adamantyl)-5-chloro-1H-pyrazole-4-carboxamide (PubChem CID 69160904) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is N-(2-adamantyl)-5-chloro-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-adamantyl)-5-chloro-1H-pyrazole-4-carboxamide
PubChem CID69160904
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC NameN-(2-adamantyl)-5-chloro-1H-pyrazole-4-carboxamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)c1cn[nH]c1Cl
InChIInChI=1S/C14H18ClN3O/c15-13-11(6-16-18-13)14(19)17-12-9-2-7-1-8(4-9)5-10(12)3-7/h6-10,12H,1-5H2,(H,16,18)(H,17,19)
InChIKeyJXWAWYNWTTZKJP-UHFFFAOYSA-N
XLogP2.62
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(2-adamantyl)-5-chloro-1H-pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-5-chloro-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(2-adamantyl)-5-chloro-1H-pyrazole-4-carboxamide (CID 69160904) is N-(2-adamantyl)-5-chloro-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-adamantyl)-5-chloro-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(2-adamantyl)-5-chloro-1H-pyrazole-4-carboxamide is O=C(NC1C2CC3CC(C2)CC1C3)c1cn[nH]c1Cl.
What is the InChIKey of N-(2-adamantyl)-5-chloro-1H-pyrazole-4-carboxamide?
The InChIKey is JXWAWYNWTTZKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c15-13-11(6-16-18-13)14(19)17-12-9-2-7-1-8(4-9)5-10(12)3-7/h6-10,12H,1-5H2,(H,16,18)(H,17,19).
What are the key properties of N-(2-adamantyl)-5-chloro-1H-pyrazole-4-carboxamide?
N-(2-adamantyl)-5-chloro-1H-pyrazole-4-carboxamide has a molecular weight of 279.77 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-5-chloro-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 69160904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).