1,3-diethyl-N-(2-hydroxy-4,4-dimethylpentyl)pyrazole-5-carboxamide

C15H27N3O2 — CID 107155249

IUPAC1,3-diethyl-N-(2-hydroxy-4,4-dimethylpentyl)pyrazole-5-carboxamide
SMILESCCc1cc(C(=O)NCC(O)CC(C)(C)C)n(CC)n1
InChIInChI=1S/C15H27N3O2/c1-6-11-8-13(18(7-2)17-11)14(20)16-10-12(19)9-15(3,4)5/h8,12,19H,6-7,9-10H2,1-5H3,(H,16,20)
InChIKeyVLMBWHLZWOEGHZ-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.99
Rot. Bonds6

About 1,3-diethyl-N-(2-hydroxy-4,4-dimethylpentyl)pyrazole-5-carboxamide

1,3-diethyl-N-(2-hydroxy-4,4-dimethylpentyl)pyrazole-5-carboxamide (PubChem CID 107155249) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1,3-diethyl-N-(2-hydroxy-4,4-dimethylpentyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1,3-diethyl-N-(2-hydroxy-4,4-dimethylpentyl)pyrazole-5-carboxamide
PubChem CID107155249
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name1,3-diethyl-N-(2-hydroxy-4,4-dimethylpentyl)pyrazole-5-carboxamide
SMILESCCc1cc(C(=O)NCC(O)CC(C)(C)C)n(CC)n1
InChIInChI=1S/C15H27N3O2/c1-6-11-8-13(18(7-2)17-11)14(20)16-10-12(19)9-15(3,4)5/h8,12,19H,6-7,9-10H2,1-5H3,(H,16,20)
InChIKeyVLMBWHLZWOEGHZ-UHFFFAOYSA-N
XLogP1.99
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-diethyl-N-(3-methyl-2-propan-2-ylbutyl)pyrazole-5-carboxamide
CID 102914495
N-(2-aminopropyl)-1,3-diethylpyrazole-5-carboxamide
CID 66120033
N-(2-amino-3-methylbutyl)-1,3-diethylpyrazole-5-carboxamide
CID 66121415
N-(4-amino-2-methylbutyl)-1,3-diethylpyrazole-5-carboxamide
CID 66122010
1,3-diethyl-N-(3-methyl-2-oxobutyl)pyrazole-5-carboxamide
CID 66121592
N-(2-aminoethyl)-1,3-diethylpyrazole-5-carboxamide
CID 66121952
ethyl 2-[(1,3-diethylpyrazole-5-carbonyl)amino]acetate
CID 66120233
1,3-diethyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)pyrazole-5-carboxamide
CID 106249765
N-(1-chloro-4,4-dimethylpentan-3-yl)-1,3-diethylpyrazole-5-carboxamide
CID 106355702
N-[3-(dimethylamino)-2-hydroxypropyl]-2-ethyl-5-methylpyrazole-3-carboxamide
CID 110281351
N-(5-aminopentyl)-1,3-diethylpyrazole-5-carboxamide
CID 66120386
N-(4-bromobutan-2-yl)-1,3-diethylpyrazole-5-carboxamide
CID 83180018

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-N-(2-hydroxy-4,4-dimethylpentyl)pyrazole-5-carboxamide?
The IUPAC name of 1,3-diethyl-N-(2-hydroxy-4,4-dimethylpentyl)pyrazole-5-carboxamide (CID 107155249) is 1,3-diethyl-N-(2-hydroxy-4,4-dimethylpentyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1,3-diethyl-N-(2-hydroxy-4,4-dimethylpentyl)pyrazole-5-carboxamide?
The canonical SMILES for 1,3-diethyl-N-(2-hydroxy-4,4-dimethylpentyl)pyrazole-5-carboxamide is CCc1cc(C(=O)NCC(O)CC(C)(C)C)n(CC)n1.
What is the InChIKey of 1,3-diethyl-N-(2-hydroxy-4,4-dimethylpentyl)pyrazole-5-carboxamide?
The InChIKey is VLMBWHLZWOEGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-6-11-8-13(18(7-2)17-11)14(20)16-10-12(19)9-15(3,4)5/h8,12,19H,6-7,9-10H2,1-5H3,(H,16,20).
What are the key properties of 1,3-diethyl-N-(2-hydroxy-4,4-dimethylpentyl)pyrazole-5-carboxamide?
1,3-diethyl-N-(2-hydroxy-4,4-dimethylpentyl)pyrazole-5-carboxamide has a molecular weight of 281.40 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-N-(2-hydroxy-4,4-dimethylpentyl)pyrazole-5-carboxamide is sourced from PubChem (CID 107155249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).