1-benzyl-5-ethyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]pyrazole-4-carboxamide

C21H21N7O — CID 78872958

IUPAC1-benzyl-5-ethyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]pyrazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2ccc(C)c(-n3cnnn3)c2)cnn1Cc1ccccc1
InChIInChI=1S/C21H21N7O/c1-3-19-18(12-23-27(19)13-16-7-5-4-6-8-16)21(29)24-17-10-9-15(2)20(11-17)28-14-22-25-26-28/h4-12,14H,3,13H2,1-2H3,(H,24,29)
InChIKeyHPYBWUVCKCGESF-UHFFFAOYSA-N
MW387.45 g/mol
LogP3.03
Rot. Bonds6

About 1-benzyl-5-ethyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]pyrazole-4-carboxamide

1-benzyl-5-ethyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]pyrazole-4-carboxamide (PubChem CID 78872958) has the molecular formula C21H21N7O and a molecular weight of 387.45 g/mol. Its IUPAC name is 1-benzyl-5-ethyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-5-ethyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]pyrazole-4-carboxamide
PubChem CID78872958
Molecular FormulaC21H21N7O
Molecular Weight387.45 g/mol
Exact Mass387.18
IUPAC Name1-benzyl-5-ethyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]pyrazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2ccc(C)c(-n3cnnn3)c2)cnn1Cc1ccccc1
InChIInChI=1S/C21H21N7O/c1-3-19-18(12-23-27(19)13-16-7-5-4-6-8-16)21(29)24-17-10-9-15(2)20(11-17)28-14-22-25-26-28/h4-12,14H,3,13H2,1-2H3,(H,24,29)
InChIKeyHPYBWUVCKCGESF-UHFFFAOYSA-N
XLogP3.03
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-benzyl-5-ethyl-N-[2-methyl-5-(phenylcarbamoyl)phenyl]pyrazole-4-carboxamide
CID 78887495
methyl N-[4-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]phenyl]carbamate
CID 78890376
1-benzyl-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-5-ethylpyrazole-4-carboxamide
CID 78873511
N-[4-methyl-3-(tetrazol-1-yl)phenyl]-2,2-diphenylacetamide
CID 39226018
N-(3-acetamido-4-methoxyphenyl)-1-benzyl-5-ethylpyrazole-4-carboxamide
CID 78873610
1-benzyl-5-ethyl-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]pyrazole-4-carboxamide
CID 78873269
3-chloro-2,2-dimethyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide
CID 63678479
1-benzyl-N-[3-(difluoromethoxy)phenyl]-5-ethylpyrazole-4-carboxamide
CID 78889307
ethyl 2-[4-methyl-3-(tetrazol-1-yl)anilino]-2-oxoacetate
CID 50776937
1-benzyl-5-ethyl-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]pyrazole-4-carboxamide
CID 78873277
1-benzyl-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-5-ethylpyrazole-4-carboxamide
CID 78873492
3-chloro-2-methyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide
CID 62728665

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-ethyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-5-ethyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]pyrazole-4-carboxamide (CID 78872958) is 1-benzyl-5-ethyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-5-ethyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-5-ethyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]pyrazole-4-carboxamide is CCc1c(C(=O)Nc2ccc(C)c(-n3cnnn3)c2)cnn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-ethyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]pyrazole-4-carboxamide?
The InChIKey is HPYBWUVCKCGESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O/c1-3-19-18(12-23-27(19)13-16-7-5-4-6-8-16)21(29)24-17-10-9-15(2)20(11-17)28-14-22-25-26-28/h4-12,14H,3,13H2,1-2H3,(H,24,29).
What are the key properties of 1-benzyl-5-ethyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]pyrazole-4-carboxamide?
1-benzyl-5-ethyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]pyrazole-4-carboxamide has a molecular weight of 387.45 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-ethyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 78872958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).