3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide

C16H19N7O — CID 154802009

IUPAC3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide
SMILESCc1n[nH]c(C)c1CCC(=O)Nc1cccc(-c2nnnn2C)c1
InChIInChI=1S/C16H19N7O/c1-10-14(11(2)19-18-10)7-8-15(24)17-13-6-4-5-12(9-13)16-20-21-22-23(16)3/h4-6,9H,7-8H2,1-3H3,(H,17,24)(H,18,19)
InChIKeyBAYXLUOFKCQZGE-UHFFFAOYSA-N
MW325.38 g/mol
LogP1.79
Rot. Bonds5

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

3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide (PubChem CID 154802009) has the molecular formula C16H19N7O and a molecular weight of 325.38 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide
PubChem CID154802009
Molecular FormulaC16H19N7O
Molecular Weight325.38 g/mol
Exact Mass325.17
IUPAC Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide
SMILESCc1n[nH]c(C)c1CCC(=O)Nc1cccc(-c2nnnn2C)c1
InChIInChI=1S/C16H19N7O/c1-10-14(11(2)19-18-10)7-8-15(24)17-13-6-4-5-12(9-13)16-20-21-22-23(16)3/h4-6,9H,7-8H2,1-3H3,(H,17,24)(H,18,19)
InChIKeyBAYXLUOFKCQZGE-UHFFFAOYSA-N
XLogP1.79
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(1-methyltetrazol-5-yl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 26124808
4-(4-fluorophenyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]-4-oxobutanamide
CID 26124801
2-[(2-methylpropan-2-yl)oxy]-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
CID 115949897
N-[4-[[3-(1-methyltetrazol-5-yl)phenyl]carbamoylamino]phenyl]propanamide
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3-amino-3-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]butanamide
CID 64684421
2-(4-methylphenoxy)-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
CID 26122709
N-[3-(1-methyltetrazol-5-yl)phenyl]-2H-triazole-4-carboxamide
CID 112733195
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
2-(3-chlorophenoxy)-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
CID 26122962
2-(2,4-dioxopyrimidin-1-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
CID 26124104
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide
CID 26124906

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide?
The IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide (CID 154802009) is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide is Cc1n[nH]c(C)c1CCC(=O)Nc1cccc(-c2nnnn2C)c1.
What is the InChIKey of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide?
The InChIKey is BAYXLUOFKCQZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7O/c1-10-14(11(2)19-18-10)7-8-15(24)17-13-6-4-5-12(9-13)16-20-21-22-23(16)3/h4-6,9H,7-8H2,1-3H3,(H,17,24)(H,18,19).
What are the key properties of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide?
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide has a molecular weight of 325.38 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide is sourced from PubChem (CID 154802009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).