N,N-dicyclohexyl-1-ethyl-3-methylpyrazole-4-carboxamide

C19H31N3O — CID 19575453

IUPACN,N-dicyclohexyl-1-ethyl-3-methylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)N(C2CCCCC2)C2CCCCC2)c(C)n1
InChIInChI=1S/C19H31N3O/c1-3-21-14-18(15(2)20-21)19(23)22(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h14,16-17H,3-13H2,1-2H3
InChIKeyQVNBIYQHIUNYEC-UHFFFAOYSA-N
MW317.48 g/mol
LogP4.32
Rot. Bonds4

About N,N-dicyclohexyl-1-ethyl-3-methylpyrazole-4-carboxamide

N,N-dicyclohexyl-1-ethyl-3-methylpyrazole-4-carboxamide (PubChem CID 19575453) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is N,N-dicyclohexyl-1-ethyl-3-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN,N-dicyclohexyl-1-ethyl-3-methylpyrazole-4-carboxamide
PubChem CID19575453
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC NameN,N-dicyclohexyl-1-ethyl-3-methylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)N(C2CCCCC2)C2CCCCC2)c(C)n1
InChIInChI=1S/C19H31N3O/c1-3-21-14-18(15(2)20-21)19(23)22(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h14,16-17H,3-13H2,1-2H3
InChIKeyQVNBIYQHIUNYEC-UHFFFAOYSA-N
XLogP4.32
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-dimethyl-1H-pyrazole-4-carboxamide
CID 665356
1-Propyl-5-(3,3,5,5-tetramethylcyclohexyl)pyrazolo[4,5-d]pyridazin-4-one
CID 53353878
2-Propyl-5-(3,3,5,5-tetramethylcyclohexyl)pyrazolo[3,4-d]pyridazin-4-one
CID 53353879
1-[2-(Dimethylamino)ethyl]-5-(3,3,5,5-tetramethylcyclohexyl)pyrazolo[4,5-d]pyridazin-4-one
CID 53353881
N-(1-adamantyl)-N,1,3-trimethyl-1H-pyrazole-4-carboxamide
CID 4124487
2-[2-(Dimethylamino)ethyl]-5-(3,3,5,5-tetramethylcyclohexyl)pyrazolo[3,4-d]pyridazin-4-one
CID 53353981
(1,5-Dimethylpyrazol-4-yl)-(2-ethylpiperidin-1-yl)methanone
CID 51075761
N-cyclohexyl-N,1,5-trimethylpyrazole-4-carboxamide
CID 51075762
1,5-dimethyl-N,N-dipropylpyrazole-4-carboxamide
CID 51076097
N,N-bis(2-methoxyethyl)-1,5-dimethylpyrazole-4-carboxamide
CID 51076099
1-[4-(1-Tert-butyl-5-methylpyrazole-4-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 56814051
1-cyclopentyl-4-[(5-methyl-1-propyl-1H-pyrazol-4-yl)carbonyl]piperazine
CID 72837249

Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-1-ethyl-3-methylpyrazole-4-carboxamide?
The IUPAC name of N,N-dicyclohexyl-1-ethyl-3-methylpyrazole-4-carboxamide (CID 19575453) is N,N-dicyclohexyl-1-ethyl-3-methylpyrazole-4-carboxamide.
What is the SMILES notation for N,N-dicyclohexyl-1-ethyl-3-methylpyrazole-4-carboxamide?
The canonical SMILES for N,N-dicyclohexyl-1-ethyl-3-methylpyrazole-4-carboxamide is CCn1cc(C(=O)N(C2CCCCC2)C2CCCCC2)c(C)n1.
What is the InChIKey of N,N-dicyclohexyl-1-ethyl-3-methylpyrazole-4-carboxamide?
The InChIKey is QVNBIYQHIUNYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O/c1-3-21-14-18(15(2)20-21)19(23)22(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h14,16-17H,3-13H2,1-2H3.
What are the key properties of N,N-dicyclohexyl-1-ethyl-3-methylpyrazole-4-carboxamide?
N,N-dicyclohexyl-1-ethyl-3-methylpyrazole-4-carboxamide has a molecular weight of 317.48 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexyl-1-ethyl-3-methylpyrazole-4-carboxamide is sourced from PubChem (CID 19575453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).