N-(4-tert-butylcyclohexyl)-4-chloro-1-methylpyrazole-5-carboxamide

C15H24ClN3O — CID 4771850

IUPACN-(4-tert-butylcyclohexyl)-4-chloro-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(Cl)c1C(=O)NC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C15H24ClN3O/c1-15(2,3)10-5-7-11(8-6-10)18-14(20)13-12(16)9-17-19(13)4/h9-11H,5-8H2,1-4H3,(H,18,20)
InChIKeyDMKXQPGMXHNAFI-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.41
Rot. Bonds2

About N-(4-tert-butylcyclohexyl)-4-chloro-1-methylpyrazole-5-carboxamide

N-(4-tert-butylcyclohexyl)-4-chloro-1-methylpyrazole-5-carboxamide (PubChem CID 4771850) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is N-(4-tert-butylcyclohexyl)-4-chloro-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylcyclohexyl)-4-chloro-1-methylpyrazole-5-carboxamide
PubChem CID4771850
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC NameN-(4-tert-butylcyclohexyl)-4-chloro-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(Cl)c1C(=O)NC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C15H24ClN3O/c1-15(2,3)10-5-7-11(8-6-10)18-14(20)13-12(16)9-17-19(13)4/h9-11H,5-8H2,1-4H3,(H,18,20)
InChIKeyDMKXQPGMXHNAFI-UHFFFAOYSA-N
XLogP3.41
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-cyclopentyl-1-methyl-1H-pyrazole-3-carboxamide
CID 891856
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CID 7824863
4-chloro-N-cyclopentyl-1-methyl-1H-pyrazole-5-carboxamide
CID 903070
4-chloro-N-cycloheptyl-1-methyl-1H-pyrazole-3-carboxamide
CID 892375
N-(2-adamantyl)-4-chloro-2-methylpyrazole-3-carboxamide
CID 844616
4-iodo-1-methyl-N-(4-methylcyclohexyl)-1H-pyrazole-3-carboxamide
CID 19575668
4-chloro-N,N-dicyclohexyl-1-methyl-1H-pyrazole-5-carboxamide
CID 4768055
4-chloro-1-methyl-N-[2-(piperidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 6469224
4-chloro-1-methyl-N-[(1-pent-2-yn-1-ylpiperidin-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 131923085
N-[(1R,5R)-1-bicyclo[3.1.0]hexanyl]-4-chloro-2-methylpyrazole-3-carboxamide
CID 137957405
4-chloro-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-1-methylpyrazole-5-carboxamide
CID 138034696
4-chloro-N-cyclohexyl-1-methyl-1H-pyrazole-3-carboxamide
CID 16000466

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylcyclohexyl)-4-chloro-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-(4-tert-butylcyclohexyl)-4-chloro-1-methylpyrazole-5-carboxamide (CID 4771850) is N-(4-tert-butylcyclohexyl)-4-chloro-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-(4-tert-butylcyclohexyl)-4-chloro-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-(4-tert-butylcyclohexyl)-4-chloro-1-methylpyrazole-5-carboxamide is Cn1ncc(Cl)c1C(=O)NC1CCC(C(C)(C)C)CC1.
What is the InChIKey of N-(4-tert-butylcyclohexyl)-4-chloro-1-methylpyrazole-5-carboxamide?
The InChIKey is DMKXQPGMXHNAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-15(2,3)10-5-7-11(8-6-10)18-14(20)13-12(16)9-17-19(13)4/h9-11H,5-8H2,1-4H3,(H,18,20).
What are the key properties of N-(4-tert-butylcyclohexyl)-4-chloro-1-methylpyrazole-5-carboxamide?
N-(4-tert-butylcyclohexyl)-4-chloro-1-methylpyrazole-5-carboxamide has a molecular weight of 297.83 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylcyclohexyl)-4-chloro-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 4771850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).