N-methyl-N-[[1-(2-methylphenyl)tetrazol-5-yl]-phenylmethyl]-1H-pyrazole-5-carboxamide

C20H19N7O — CID 46999614

IUPACN-methyl-N-[[1-(2-methylphenyl)tetrazol-5-yl]-phenylmethyl]-1H-pyrazole-5-carboxamide
SMILESCc1ccccc1-n1nnnc1C(c1ccccc1)N(C)C(=O)c1ccn[nH]1
InChIInChI=1S/C20H19N7O/c1-14-8-6-7-11-17(14)27-19(23-24-25-27)18(15-9-4-3-5-10-15)26(2)20(28)16-12-13-21-22-16/h3-13,18H,1-2H3,(H,21,22)
InChIKeyQHKFZEGWDKRCNS-UHFFFAOYSA-N
MW373.42 g/mol
LogP2.56
Rot. Bonds5

About N-methyl-N-[[1-(2-methylphenyl)tetrazol-5-yl]-phenylmethyl]-1H-pyrazole-5-carboxamide

N-methyl-N-[[1-(2-methylphenyl)tetrazol-5-yl]-phenylmethyl]-1H-pyrazole-5-carboxamide (PubChem CID 46999614) has the molecular formula C20H19N7O and a molecular weight of 373.42 g/mol. Its IUPAC name is N-methyl-N-[[1-(2-methylphenyl)tetrazol-5-yl]-phenylmethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[[1-(2-methylphenyl)tetrazol-5-yl]-phenylmethyl]-1H-pyrazole-5-carboxamide
PubChem CID46999614
Molecular FormulaC20H19N7O
Molecular Weight373.42 g/mol
Exact Mass373.17
IUPAC NameN-methyl-N-[[1-(2-methylphenyl)tetrazol-5-yl]-phenylmethyl]-1H-pyrazole-5-carboxamide
SMILESCc1ccccc1-n1nnnc1C(c1ccccc1)N(C)C(=O)c1ccn[nH]1
InChIInChI=1S/C20H19N7O/c1-14-8-6-7-11-17(14)27-19(23-24-25-27)18(15-9-4-3-5-10-15)26(2)20(28)16-12-13-21-22-16/h3-13,18H,1-2H3,(H,21,22)
InChIKeyQHKFZEGWDKRCNS-UHFFFAOYSA-N
XLogP2.56
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(dimethylamino)-N-methyl-N-[[1-(2-methylphenyl)tetrazol-5-yl]-phenylmethyl]acetamide
CID 46996075
(1S)-N-[(4-fluorophenyl)methyl]-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine
CID 7463822
(1R)-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenyl-N-(thiophen-2-ylmethyl)methanamine
CID 7463843
N-[(2,3-dichlorophenyl)methyl]-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine
CID 2867834
N-[(3,4-difluorophenyl)methyl]-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine
CID 2867852
N-[(3-chlorophenyl)methyl]-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine
CID 2867833
3-[(2R)-2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-methyl-N-[(R)-[1-(2-methylphenyl)tetrazol-5-yl]-phenylmethyl]propanamide
CID 42482787
3-[2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-methyl-N-[[1-(2-methylphenyl)tetrazol-5-yl]-phenylmethyl]propanamide
CID 45206144
4-bromo-2-methoxy-6-[[methyl-[[1-(2-methylphenyl)tetrazol-5-yl]-phenylmethyl]amino]methyl]phenol
CID 2867862
N-benzhydryl-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide
CID 26643650
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 27015628
N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]ethanamine
CID 103084956

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[1-(2-methylphenyl)tetrazol-5-yl]-phenylmethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-methyl-N-[[1-(2-methylphenyl)tetrazol-5-yl]-phenylmethyl]-1H-pyrazole-5-carboxamide (CID 46999614) is N-methyl-N-[[1-(2-methylphenyl)tetrazol-5-yl]-phenylmethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-methyl-N-[[1-(2-methylphenyl)tetrazol-5-yl]-phenylmethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-methyl-N-[[1-(2-methylphenyl)tetrazol-5-yl]-phenylmethyl]-1H-pyrazole-5-carboxamide is Cc1ccccc1-n1nnnc1C(c1ccccc1)N(C)C(=O)c1ccn[nH]1.
What is the InChIKey of N-methyl-N-[[1-(2-methylphenyl)tetrazol-5-yl]-phenylmethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is QHKFZEGWDKRCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O/c1-14-8-6-7-11-17(14)27-19(23-24-25-27)18(15-9-4-3-5-10-15)26(2)20(28)16-12-13-21-22-16/h3-13,18H,1-2H3,(H,21,22).
What are the key properties of N-methyl-N-[[1-(2-methylphenyl)tetrazol-5-yl]-phenylmethyl]-1H-pyrazole-5-carboxamide?
N-methyl-N-[[1-(2-methylphenyl)tetrazol-5-yl]-phenylmethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 373.42 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[1-(2-methylphenyl)tetrazol-5-yl]-phenylmethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 46999614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).