1,3-diethyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrazole-5-carboxamide

C11H17N7O — CID 66120822

IUPAC1,3-diethyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrazole-5-carboxamide
SMILESCCc1cc(C(=O)NC(C)c2nn[nH]n2)n(CC)n1
InChIInChI=1S/C11H17N7O/c1-4-8-6-9(18(5-2)15-8)11(19)12-7(3)10-13-16-17-14-10/h6-7H,4-5H2,1-3H3,(H,12,19)(H,13,14,16,17)
InChIKeyMLEVLNRAEBJKNY-UHFFFAOYSA-N
MW263.31 g/mol
LogP0.47
Rot. Bonds5

About 1,3-diethyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrazole-5-carboxamide

1,3-diethyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrazole-5-carboxamide (PubChem CID 66120822) has the molecular formula C11H17N7O and a molecular weight of 263.31 g/mol. Its IUPAC name is 1,3-diethyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1,3-diethyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrazole-5-carboxamide
PubChem CID66120822
Molecular FormulaC11H17N7O
Molecular Weight263.31 g/mol
Exact Mass263.15
IUPAC Name1,3-diethyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrazole-5-carboxamide
SMILESCCc1cc(C(=O)NC(C)c2nn[nH]n2)n(CC)n1
InChIInChI=1S/C11H17N7O/c1-4-8-6-9(18(5-2)15-8)11(19)12-7(3)10-13-16-17-14-10/h6-7H,4-5H2,1-3H3,(H,12,19)(H,13,14,16,17)
InChIKeyMLEVLNRAEBJKNY-UHFFFAOYSA-N
XLogP0.47
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[(1,3-diethylpyrazole-5-carbonyl)amino]propanoate
CID 66120627
1,3-diethyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrazole-5-carboxamide
CID 106217679
N-(1-amino-1-sulfanylidenepropan-2-yl)-1,3-diethylpyrazole-5-carboxamide
CID 66121975
N-(4-bromobutan-2-yl)-1,3-diethylpyrazole-5-carboxamide
CID 83180018
N-(1-amino-4-methylpentan-3-yl)-1,3-diethylpyrazole-5-carboxamide
CID 106356961
1,3-diethyl-N-(1-hydroxy-4-methylpentan-3-yl)pyrazole-5-carboxamide
CID 106352951
1,3-diethyl-N-(3-methyl-2-oxobutyl)pyrazole-5-carboxamide
CID 66121592
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
(2R)-4-amino-2-[(1,3-diethylpyrazole-5-carbonyl)amino]-4-oxobutanoic acid
CID 107821220
N-(4-amino-2-methylbutyl)-1,3-diethylpyrazole-5-carboxamide
CID 66122010
N-(2-amino-3-methylbutyl)-1,3-diethylpyrazole-5-carboxamide
CID 66121415

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrazole-5-carboxamide?
The IUPAC name of 1,3-diethyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrazole-5-carboxamide (CID 66120822) is 1,3-diethyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrazole-5-carboxamide.
What is the SMILES notation for 1,3-diethyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrazole-5-carboxamide?
The canonical SMILES for 1,3-diethyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrazole-5-carboxamide is CCc1cc(C(=O)NC(C)c2nn[nH]n2)n(CC)n1.
What is the InChIKey of 1,3-diethyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrazole-5-carboxamide?
The InChIKey is MLEVLNRAEBJKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7O/c1-4-8-6-9(18(5-2)15-8)11(19)12-7(3)10-13-16-17-14-10/h6-7H,4-5H2,1-3H3,(H,12,19)(H,13,14,16,17).
What are the key properties of 1,3-diethyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrazole-5-carboxamide?
1,3-diethyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrazole-5-carboxamide has a molecular weight of 263.31 g/mol, XLogP of 0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrazole-5-carboxamide is sourced from PubChem (CID 66120822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).