N-methyl-3-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-(tetrazol-1-yl)propanamide

C21H21N7O — CID 51237834

IUPACN-methyl-3-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-(tetrazol-1-yl)propanamide
SMILESCN(Cc1cnn(-c2ccccc2)c1)C(=O)C(Cc1ccccc1)n1cnnn1
InChIInChI=1S/C21H21N7O/c1-26(14-18-13-23-27(15-18)19-10-6-3-7-11-19)21(29)20(28-16-22-24-25-28)12-17-8-4-2-5-9-17/h2-11,13,15-16,20H,12,14H2,1H3
InChIKeyDHDYTDOUHXKREQ-UHFFFAOYSA-N
MW387.45 g/mol
LogP2.30
Rot. Bonds7

About N-methyl-3-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-(tetrazol-1-yl)propanamide

N-methyl-3-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-(tetrazol-1-yl)propanamide (PubChem CID 51237834) has the molecular formula C21H21N7O and a molecular weight of 387.45 g/mol. Its IUPAC name is N-methyl-3-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-(tetrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-methyl-3-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-(tetrazol-1-yl)propanamide
PubChem CID51237834
Molecular FormulaC21H21N7O
Molecular Weight387.45 g/mol
Exact Mass387.18
IUPAC NameN-methyl-3-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-(tetrazol-1-yl)propanamide
SMILESCN(Cc1cnn(-c2ccccc2)c1)C(=O)C(Cc1ccccc1)n1cnnn1
InChIInChI=1S/C21H21N7O/c1-26(14-18-13-23-27(15-18)19-10-6-3-7-11-19)21(29)20(28-16-22-24-25-28)12-17-8-4-2-5-9-17/h2-11,13,15-16,20H,12,14H2,1H3
InChIKeyDHDYTDOUHXKREQ-UHFFFAOYSA-N
XLogP2.30
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 31852023
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-sulfanylacetamide
CID 122174227
N,2-dimethyl-3-(methylamino)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide;hydrochloride
CID 119694776
2-butylsulfanyl-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 134037922
2-hydroxy-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 24551539
(2S)-2-(4-bromophenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 8950804
N,4-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8810657
N-[3-methyl-1-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 51237828
2-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119834031
2-(benzhydrylamino)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 24648715
2,3,5-trichloro-6-hydroxy-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 112813676
2-[ethyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-methylpropanoic acid
CID 62820285

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-(tetrazol-1-yl)propanamide?
The IUPAC name of N-methyl-3-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-(tetrazol-1-yl)propanamide (CID 51237834) is N-methyl-3-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-(tetrazol-1-yl)propanamide.
What is the SMILES notation for N-methyl-3-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-(tetrazol-1-yl)propanamide?
The canonical SMILES for N-methyl-3-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-(tetrazol-1-yl)propanamide is CN(Cc1cnn(-c2ccccc2)c1)C(=O)C(Cc1ccccc1)n1cnnn1.
What is the InChIKey of N-methyl-3-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-(tetrazol-1-yl)propanamide?
The InChIKey is DHDYTDOUHXKREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O/c1-26(14-18-13-23-27(15-18)19-10-6-3-7-11-19)21(29)20(28-16-22-24-25-28)12-17-8-4-2-5-9-17/h2-11,13,15-16,20H,12,14H2,1H3.
What are the key properties of N-methyl-3-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-(tetrazol-1-yl)propanamide?
N-methyl-3-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-(tetrazol-1-yl)propanamide has a molecular weight of 387.45 g/mol, XLogP of 2.30, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-(tetrazol-1-yl)propanamide is sourced from PubChem (CID 51237834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).