(1-butyltetrazol-5-yl)methyl 3-(3,5-dimethylpyrazol-1-yl)propanoate

C14H22N6O2 — CID 55562402

IUPAC(1-butyltetrazol-5-yl)methyl 3-(3,5-dimethylpyrazol-1-yl)propanoate
SMILESCCCCn1nnnc1COC(=O)CCn1nc(C)cc1C
InChIInChI=1S/C14H22N6O2/c1-4-5-7-20-13(15-17-18-20)10-22-14(21)6-8-19-12(3)9-11(2)16-19/h9H,4-8,10H2,1-3H3
InChIKeyZAYVPLITPYDBED-UHFFFAOYSA-N
MW306.37 g/mol
LogP1.42
Rot. Bonds8

About (1-butyltetrazol-5-yl)methyl 3-(3,5-dimethylpyrazol-1-yl)propanoate

(1-butyltetrazol-5-yl)methyl 3-(3,5-dimethylpyrazol-1-yl)propanoate (PubChem CID 55562402) has the molecular formula C14H22N6O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is (1-butyltetrazol-5-yl)methyl 3-(3,5-dimethylpyrazol-1-yl)propanoate.

Molecular Properties

Compound Name(1-butyltetrazol-5-yl)methyl 3-(3,5-dimethylpyrazol-1-yl)propanoate
PubChem CID55562402
Molecular FormulaC14H22N6O2
Molecular Weight306.37 g/mol
Exact Mass306.18
IUPAC Name(1-butyltetrazol-5-yl)methyl 3-(3,5-dimethylpyrazol-1-yl)propanoate
SMILESCCCCn1nnnc1COC(=O)CCn1nc(C)cc1C
InChIInChI=1S/C14H22N6O2/c1-4-5-7-20-13(15-17-18-20)10-22-14(21)6-8-19-12(3)9-11(2)16-19/h9H,4-8,10H2,1-3H3
InChIKeyZAYVPLITPYDBED-UHFFFAOYSA-N
XLogP1.42
TPSA87.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(1-butyltetrazol-5-yl)methyl 3-(2,3-dimethoxyphenyl)propanoate
CID 55392997
(2,5-dimethylphenyl)methyl 3-(3,5-dimethylpyrazol-1-yl)propanoate
CID 55562950
(1-butyltetrazol-5-yl)methyl 1,5-dimethylpyrazole-4-carboxylate
CID 55563378
(1-propyltetrazol-5-yl)methyl 4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoate
CID 55400770
[2-(carbamoylamino)-2-oxoethyl] 3-(3,5-dimethylpyrazol-1-yl)propanoate
CID 30237813
(1-propyltetrazol-5-yl)methyl 4-(4-methoxyphenoxy)butanoate
CID 55402770
3-phenoxypropyl 3-(3,5-dimethylpyrazol-1-yl)propanoate
CID 55568167
(1-propyltetrazol-5-yl)methyl 4-(5-methylthiophen-2-yl)-4-oxobutanoate
CID 55401563
(1-butyltetrazol-5-yl)methyl 5-propyl-1H-pyrazole-3-carboxylate
CID 55562305
(1-butyltetrazol-5-yl)methyl 2-[(5-bromofuran-2-carbonyl)amino]acetate
CID 7703282
(1-propyltetrazol-5-yl)methyl 3-cyclopentylpropanoate
CID 55397176
(1-butyltetrazol-5-yl)methyl 2-(2-benzylphenoxy)acetate
CID 55390176

Frequently Asked Questions

What is the IUPAC name of (1-butyltetrazol-5-yl)methyl 3-(3,5-dimethylpyrazol-1-yl)propanoate?
The IUPAC name of (1-butyltetrazol-5-yl)methyl 3-(3,5-dimethylpyrazol-1-yl)propanoate (CID 55562402) is (1-butyltetrazol-5-yl)methyl 3-(3,5-dimethylpyrazol-1-yl)propanoate.
What is the SMILES notation for (1-butyltetrazol-5-yl)methyl 3-(3,5-dimethylpyrazol-1-yl)propanoate?
The canonical SMILES for (1-butyltetrazol-5-yl)methyl 3-(3,5-dimethylpyrazol-1-yl)propanoate is CCCCn1nnnc1COC(=O)CCn1nc(C)cc1C.
What is the InChIKey of (1-butyltetrazol-5-yl)methyl 3-(3,5-dimethylpyrazol-1-yl)propanoate?
The InChIKey is ZAYVPLITPYDBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O2/c1-4-5-7-20-13(15-17-18-20)10-22-14(21)6-8-19-12(3)9-11(2)16-19/h9H,4-8,10H2,1-3H3.
What are the key properties of (1-butyltetrazol-5-yl)methyl 3-(3,5-dimethylpyrazol-1-yl)propanoate?
(1-butyltetrazol-5-yl)methyl 3-(3,5-dimethylpyrazol-1-yl)propanoate has a molecular weight of 306.37 g/mol, XLogP of 1.42, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butyltetrazol-5-yl)methyl 3-(3,5-dimethylpyrazol-1-yl)propanoate is sourced from PubChem (CID 55562402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).