N-(1-adamantyl)-4-chloro-N,1,5-trimethylpyrazole-3-carboxamide

C17H24ClN3O — CID 19278133

IUPACN-(1-adamantyl)-4-chloro-N,1,5-trimethylpyrazole-3-carboxamide
SMILESCc1c(Cl)c(C(=O)N(C)C23CC4CC(CC(C4)C2)C3)nn1C
InChIInChI=1S/C17H24ClN3O/c1-10-14(18)15(19-21(10)3)16(22)20(2)17-7-11-4-12(8-17)6-13(5-11)9-17/h11-13H,4-9H2,1-3H3
InChIKeyWLPFWWLSRWOFSH-UHFFFAOYSA-N
MW321.85 g/mol
LogP3.42
Rot. Bonds2

About N-(1-adamantyl)-4-chloro-N,1,5-trimethylpyrazole-3-carboxamide

N-(1-adamantyl)-4-chloro-N,1,5-trimethylpyrazole-3-carboxamide (PubChem CID 19278133) has the molecular formula C17H24ClN3O and a molecular weight of 321.85 g/mol. Its IUPAC name is N-(1-adamantyl)-4-chloro-N,1,5-trimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-4-chloro-N,1,5-trimethylpyrazole-3-carboxamide
PubChem CID19278133
Molecular FormulaC17H24ClN3O
Molecular Weight321.85 g/mol
Exact Mass321.16
IUPAC NameN-(1-adamantyl)-4-chloro-N,1,5-trimethylpyrazole-3-carboxamide
SMILESCc1c(Cl)c(C(=O)N(C)C23CC4CC(CC(C4)C2)C3)nn1C
InChIInChI=1S/C17H24ClN3O/c1-10-14(18)15(19-21(10)3)16(22)20(2)17-7-11-4-12(8-17)6-13(5-11)9-17/h11-13H,4-9H2,1-3H3
InChIKeyWLPFWWLSRWOFSH-UHFFFAOYSA-N
XLogP3.42
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.85
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-adamantyl)-4-bromo-N,1,5-trimethylpyrazole-3-carboxamide
CID 3452136
N-(1-adamantyl)-4-chloro-N,1-dimethylpyrazole-3-carboxamide
CID 3694136
N-(1-adamantyl)-4-chloro-N,1-dimethyl-1H-pyrazole-5-carboxamide
CID 7824863
N-(2-adamantyl)-4-chloro-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 832065
4-Adamantanylpiperazinyl 4-chloro-1-methylpyrazol-5-yl ketone
CID 4576838
N-(2-adamantyl)-4-chloro-1,5-dimethyl-1H-pyrazole-3-carboxamide
CID 844562
N-(1-adamantyl)-N,2-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 5103402
N-(1-adamantyl)-4-chloro-N,2-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 17020367
N-(1-Adamantylmethyl)-4-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 17020537
N-(1-adamantyl)-4-bromo-N,2,5-trimethylpyrazole-3-carboxamide
CID 3329832
N-(1-adamantyl)-4-chloro-1-ethyl-N-methylpyrazole-3-carboxamide
CID 4622372
N-(1-adamantyl)-4-chloro-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 4768717

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-4-chloro-N,1,5-trimethylpyrazole-3-carboxamide?
The IUPAC name of N-(1-adamantyl)-4-chloro-N,1,5-trimethylpyrazole-3-carboxamide (CID 19278133) is N-(1-adamantyl)-4-chloro-N,1,5-trimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-4-chloro-N,1,5-trimethylpyrazole-3-carboxamide?
The canonical SMILES for N-(1-adamantyl)-4-chloro-N,1,5-trimethylpyrazole-3-carboxamide is Cc1c(Cl)c(C(=O)N(C)C23CC4CC(CC(C4)C2)C3)nn1C.
What is the InChIKey of N-(1-adamantyl)-4-chloro-N,1,5-trimethylpyrazole-3-carboxamide?
The InChIKey is WLPFWWLSRWOFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O/c1-10-14(18)15(19-21(10)3)16(22)20(2)17-7-11-4-12(8-17)6-13(5-11)9-17/h11-13H,4-9H2,1-3H3.
What are the key properties of N-(1-adamantyl)-4-chloro-N,1,5-trimethylpyrazole-3-carboxamide?
N-(1-adamantyl)-4-chloro-N,1,5-trimethylpyrazole-3-carboxamide has a molecular weight of 321.85 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-4-chloro-N,1,5-trimethylpyrazole-3-carboxamide is sourced from PubChem (CID 19278133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).