N-[cyclohexyl(2H-tetrazol-5-yl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide

C16H25N7O2 — CID 166380222

IUPACN-[cyclohexyl(2H-tetrazol-5-yl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide
SMILESCc1nn(C)c(C)c1OCC(=O)NC(c1nn[nH]n1)C1CCCCC1
InChIInChI=1S/C16H25N7O2/c1-10-15(11(2)23(3)20-10)25-9-13(24)17-14(16-18-21-22-19-16)12-7-5-4-6-8-12/h12,14H,4-9H2,1-3H3,(H,17,24)(H,18,19,21,22)
InChIKeyOLQIEOXUSVINGV-UHFFFAOYSA-N
MW347.42 g/mol
LogP1.37
Rot. Bonds6

About N-[cyclohexyl(2H-tetrazol-5-yl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide

N-[cyclohexyl(2H-tetrazol-5-yl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide (PubChem CID 166380222) has the molecular formula C16H25N7O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[cyclohexyl(2H-tetrazol-5-yl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide.

Molecular Properties

Compound NameN-[cyclohexyl(2H-tetrazol-5-yl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide
PubChem CID166380222
Molecular FormulaC16H25N7O2
Molecular Weight347.42 g/mol
Exact Mass347.21
IUPAC NameN-[cyclohexyl(2H-tetrazol-5-yl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide
SMILESCc1nn(C)c(C)c1OCC(=O)NC(c1nn[nH]n1)C1CCCCC1
InChIInChI=1S/C16H25N7O2/c1-10-15(11(2)23(3)20-10)25-9-13(24)17-14(16-18-21-22-19-16)12-7-5-4-6-8-12/h12,14H,4-9H2,1-3H3,(H,17,24)(H,18,19,21,22)
InChIKeyOLQIEOXUSVINGV-UHFFFAOYSA-N
XLogP1.37
TPSA110.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide
CID 71970941
2-(4-bromophenoxy)-N-[cyclopropyl(2H-tetrazol-5-yl)methyl]acetamide
CID 166207405
N-[cyclopentyl(2H-tetrazol-5-yl)methyl]-3-methoxy-5-methylthiophene-2-carboxamide
CID 166313425
trans-(1R,2S)-N-[cyclopropyl(2H-tetrazol-5-yl)methyl]-2-propan-2-ylcyclopropane-1-carboxamide
CID 166312498
N-[1-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide
CID 122143501
1-[3-(methylamino)piperidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyethanone;hydrochloride
CID 119492345
1-[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyethanone
CID 125135182
N-(2-pyrrolidin-3-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide;hydrochloride
CID 119537028
N-(2-aminoethyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide;hydrochloride
CID 119384708
N-cyclohexyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 18129488
N-(3-aminobutyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide;hydrochloride
CID 119498514
1-[(2R)-2-(aminomethyl)piperidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyethanone
CID 124697019

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexyl(2H-tetrazol-5-yl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide?
The IUPAC name of N-[cyclohexyl(2H-tetrazol-5-yl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide (CID 166380222) is N-[cyclohexyl(2H-tetrazol-5-yl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide.
What is the SMILES notation for N-[cyclohexyl(2H-tetrazol-5-yl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide?
The canonical SMILES for N-[cyclohexyl(2H-tetrazol-5-yl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide is Cc1nn(C)c(C)c1OCC(=O)NC(c1nn[nH]n1)C1CCCCC1.
What is the InChIKey of N-[cyclohexyl(2H-tetrazol-5-yl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide?
The InChIKey is OLQIEOXUSVINGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N7O2/c1-10-15(11(2)23(3)20-10)25-9-13(24)17-14(16-18-21-22-19-16)12-7-5-4-6-8-12/h12,14H,4-9H2,1-3H3,(H,17,24)(H,18,19,21,22).
What are the key properties of N-[cyclohexyl(2H-tetrazol-5-yl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide?
N-[cyclohexyl(2H-tetrazol-5-yl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide has a molecular weight of 347.42 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexyl(2H-tetrazol-5-yl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide is sourced from PubChem (CID 166380222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).