4-(2-methylpropoxy)-1-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]pyrazole-3-carboxamide

C21H21N7O2 — CID 71932265

IUPAC4-(2-methylpropoxy)-1-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]pyrazole-3-carboxamide
SMILESCC(C)COc1cn(-c2ccccc2)nc1C(=O)Nc1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C21H21N7O2/c1-14(2)13-30-18-12-28(17-9-4-3-5-10-17)25-19(18)21(29)22-16-8-6-7-15(11-16)20-23-26-27-24-20/h3-12,14H,13H2,1-2H3,(H,22,29)(H,23,24,26,27)
InChIKeyQXMWJGVXTJGJOG-UHFFFAOYSA-N
MW403.45 g/mol
LogP3.34
Rot. Bonds7

About 4-(2-methylpropoxy)-1-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]pyrazole-3-carboxamide

4-(2-methylpropoxy)-1-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]pyrazole-3-carboxamide (PubChem CID 71932265) has the molecular formula C21H21N7O2 and a molecular weight of 403.45 g/mol. Its IUPAC name is 4-(2-methylpropoxy)-1-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-(2-methylpropoxy)-1-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]pyrazole-3-carboxamide
PubChem CID71932265
Molecular FormulaC21H21N7O2
Molecular Weight403.45 g/mol
Exact Mass403.18
IUPAC Name4-(2-methylpropoxy)-1-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]pyrazole-3-carboxamide
SMILESCC(C)COc1cn(-c2ccccc2)nc1C(=O)Nc1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C21H21N7O2/c1-14(2)13-30-18-12-28(17-9-4-3-5-10-17)25-19(18)21(29)22-16-8-6-7-15(11-16)20-23-26-27-24-20/h3-12,14H,13H2,1-2H3,(H,22,29)(H,23,24,26,27)
InChIKeyQXMWJGVXTJGJOG-UHFFFAOYSA-N
XLogP3.34
TPSA110.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(ethylaminomethyl)phenyl]-4-(2-methylpropoxy)-1-phenylpyrazole-3-carboxamide
CID 119440303
4-(2-methylpropoxy)-N-(2-oxo-1-pyridinyl)-1-phenylpyrazole-3-carboxamide
CID 166317144
4-(2-methylpropoxy)-1-phenyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride
CID 119453024
N-[3-(aminomethyl)pentan-3-yl]-4-(2-methylpropoxy)-1-phenylpyrazole-3-carboxamide
CID 119571155
2,3-dimethoxy-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
CID 17164751
N-[3-(ethylaminomethyl)phenyl]-1-phenyl-4-propoxypyrazole-3-carboxamide;hydrochloride
CID 119438563
2-[4-[[[4-(2-methylpropoxy)-1-phenylpyrazole-3-carbonyl]amino]methyl]triazol-1-yl]acetic acid
CID 120699002
3-amino-2-methyl-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 55104793
2-(methylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 62639485
N-[2-(aminomethyl)cyclopentyl]-4-(2-methylpropoxy)-1-phenylpyrazole-3-carboxamide
CID 119604031
(2S)-2-amino-3-methyl-N-[3-(2H-tetrazol-5-yl)phenyl]butanamide
CID 61178824
ethyl N-[3-(2H-tetrazol-5-yl)phenyl]carbamate
CID 17164270

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropoxy)-1-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]pyrazole-3-carboxamide?
The IUPAC name of 4-(2-methylpropoxy)-1-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]pyrazole-3-carboxamide (CID 71932265) is 4-(2-methylpropoxy)-1-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-(2-methylpropoxy)-1-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-(2-methylpropoxy)-1-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]pyrazole-3-carboxamide is CC(C)COc1cn(-c2ccccc2)nc1C(=O)Nc1cccc(-c2nn[nH]n2)c1.
What is the InChIKey of 4-(2-methylpropoxy)-1-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]pyrazole-3-carboxamide?
The InChIKey is QXMWJGVXTJGJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O2/c1-14(2)13-30-18-12-28(17-9-4-3-5-10-17)25-19(18)21(29)22-16-8-6-7-15(11-16)20-23-26-27-24-20/h3-12,14H,13H2,1-2H3,(H,22,29)(H,23,24,26,27).
What are the key properties of 4-(2-methylpropoxy)-1-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]pyrazole-3-carboxamide?
4-(2-methylpropoxy)-1-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]pyrazole-3-carboxamide has a molecular weight of 403.45 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropoxy)-1-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 71932265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).