1,3-diethyl-N-(3-methyl-2-propan-2-ylbutyl)pyrazole-5-carboxamide

C16H29N3O — CID 102914495

IUPAC1,3-diethyl-N-(3-methyl-2-propan-2-ylbutyl)pyrazole-5-carboxamide
SMILESCCc1cc(C(=O)NCC(C(C)C)C(C)C)n(CC)n1
InChIInChI=1S/C16H29N3O/c1-7-13-9-15(19(8-2)18-13)16(20)17-10-14(11(3)4)12(5)6/h9,11-12,14H,7-8,10H2,1-6H3,(H,17,20)
InChIKeyDCHUYCDYHLJBLY-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.12
Rot. Bonds7

About 1,3-diethyl-N-(3-methyl-2-propan-2-ylbutyl)pyrazole-5-carboxamide

1,3-diethyl-N-(3-methyl-2-propan-2-ylbutyl)pyrazole-5-carboxamide (PubChem CID 102914495) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 1,3-diethyl-N-(3-methyl-2-propan-2-ylbutyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1,3-diethyl-N-(3-methyl-2-propan-2-ylbutyl)pyrazole-5-carboxamide
PubChem CID102914495
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name1,3-diethyl-N-(3-methyl-2-propan-2-ylbutyl)pyrazole-5-carboxamide
SMILESCCc1cc(C(=O)NCC(C(C)C)C(C)C)n(CC)n1
InChIInChI=1S/C16H29N3O/c1-7-13-9-15(19(8-2)18-13)16(20)17-10-14(11(3)4)12(5)6/h9,11-12,14H,7-8,10H2,1-6H3,(H,17,20)
InChIKeyDCHUYCDYHLJBLY-UHFFFAOYSA-N
XLogP3.12
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-3-methylbutyl)-1,3-diethylpyrazole-5-carboxamide
CID 66121415
N-(2-aminopropyl)-1,3-diethylpyrazole-5-carboxamide
CID 66120033
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
1,3-diethyl-N-(2-hydroxy-4,4-dimethylpentyl)pyrazole-5-carboxamide
CID 107155249
N-(2-aminoethyl)-1,3-diethylpyrazole-5-carboxamide
CID 66121952
1,3-diethyl-N-(1-hydroxy-4-methylpentan-3-yl)pyrazole-5-carboxamide
CID 106352951
N-(4-bromobutan-2-yl)-1,3-diethylpyrazole-5-carboxamide
CID 83180018
methyl 2-[(1,3-diethylpyrazole-5-carbonyl)amino]propanoate
CID 66120627
N-(1-amino-4-methylpentan-3-yl)-1,3-diethylpyrazole-5-carboxamide
CID 106356961
N-(2-chloropropyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 114296603
ethyl 2-[(1,3-diethylpyrazole-5-carbonyl)amino]acetate
CID 66120233

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-N-(3-methyl-2-propan-2-ylbutyl)pyrazole-5-carboxamide?
The IUPAC name of 1,3-diethyl-N-(3-methyl-2-propan-2-ylbutyl)pyrazole-5-carboxamide (CID 102914495) is 1,3-diethyl-N-(3-methyl-2-propan-2-ylbutyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1,3-diethyl-N-(3-methyl-2-propan-2-ylbutyl)pyrazole-5-carboxamide?
The canonical SMILES for 1,3-diethyl-N-(3-methyl-2-propan-2-ylbutyl)pyrazole-5-carboxamide is CCc1cc(C(=O)NCC(C(C)C)C(C)C)n(CC)n1.
What is the InChIKey of 1,3-diethyl-N-(3-methyl-2-propan-2-ylbutyl)pyrazole-5-carboxamide?
The InChIKey is DCHUYCDYHLJBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-7-13-9-15(19(8-2)18-13)16(20)17-10-14(11(3)4)12(5)6/h9,11-12,14H,7-8,10H2,1-6H3,(H,17,20).
What are the key properties of 1,3-diethyl-N-(3-methyl-2-propan-2-ylbutyl)pyrazole-5-carboxamide?
1,3-diethyl-N-(3-methyl-2-propan-2-ylbutyl)pyrazole-5-carboxamide has a molecular weight of 279.43 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-N-(3-methyl-2-propan-2-ylbutyl)pyrazole-5-carboxamide is sourced from PubChem (CID 102914495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).