N-[3-(1-methyltetrazol-5-yl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

C17H21N7O — CID 26124808

IUPACN-[3-(1-methyltetrazol-5-yl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)Nc1cccc(-c2nnnn2C)c1
InChIInChI=1S/C17H21N7O/c1-11-15(12(2)23(3)20-11)8-9-16(25)18-14-7-5-6-13(10-14)17-19-21-22-24(17)4/h5-7,10H,8-9H2,1-4H3,(H,18,25)
InChIKeyNQTDHLVEEOXPFF-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.80
Rot. Bonds5

About N-[3-(1-methyltetrazol-5-yl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

N-[3-(1-methyltetrazol-5-yl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 26124808) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[3-(1-methyltetrazol-5-yl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[3-(1-methyltetrazol-5-yl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID26124808
Molecular FormulaC17H21N7O
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC NameN-[3-(1-methyltetrazol-5-yl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)Nc1cccc(-c2nnnn2C)c1
InChIInChI=1S/C17H21N7O/c1-11-15(12(2)23(3)20-11)8-9-16(25)18-14-7-5-6-13(10-14)17-19-21-22-24(17)4/h5-7,10H,8-9H2,1-4H3,(H,18,25)
InChIKeyNQTDHLVEEOXPFF-UHFFFAOYSA-N
XLogP1.80
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide
CID 154802009
N-[3-(methoxymethyl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 32639084
4-(4-fluorophenyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]-4-oxobutanamide
CID 26124801
3-amino-3-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]butanamide
CID 64684421
N-[4-[[3-(1-methyltetrazol-5-yl)phenyl]carbamoylamino]phenyl]propanamide
CID 48783055
N-(2-methyl-1-benzofuran-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 131942160
N-[3-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]phenyl]thiophene-2-carboxamide
CID 31518712
2-[(2-methylpropan-2-yl)oxy]-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
CID 115949897
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide
CID 26124906
N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 24649219
N-[3-(1-methyltetrazol-5-yl)phenyl]-2-thiophen-3-ylacetamide
CID 30414133
N-[3-(1-methyltetrazol-5-yl)phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 38937340

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methyltetrazol-5-yl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-[3-(1-methyltetrazol-5-yl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 26124808) is N-[3-(1-methyltetrazol-5-yl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[3-(1-methyltetrazol-5-yl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[3-(1-methyltetrazol-5-yl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1CCC(=O)Nc1cccc(-c2nnnn2C)c1.
What is the InChIKey of N-[3-(1-methyltetrazol-5-yl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is NQTDHLVEEOXPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O/c1-11-15(12(2)23(3)20-11)8-9-16(25)18-14-7-5-6-13(10-14)17-19-21-22-24(17)4/h5-7,10H,8-9H2,1-4H3,(H,18,25).
What are the key properties of N-[3-(1-methyltetrazol-5-yl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
N-[3-(1-methyltetrazol-5-yl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 339.40 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methyltetrazol-5-yl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 26124808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).