N-(1-methylpiperidin-4-yl)-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide

C18H22N8O — CID 19269078

IUPACN-(1-methylpiperidin-4-yl)-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide
SMILESCN1CCC(NC(=O)c2ccn(Cn3nnc(-c4ccccc4)n3)n2)CC1
InChIInChI=1S/C18H22N8O/c1-24-10-7-15(8-11-24)19-18(27)16-9-12-25(21-16)13-26-22-17(20-23-26)14-5-3-2-4-6-14/h2-6,9,12,15H,7-8,10-11,13H2,1H3,(H,19,27)
InChIKeyJNRVIXHHBZNXDJ-UHFFFAOYSA-N
MW366.43 g/mol
LogP0.87
Rot. Bonds5

About N-(1-methylpiperidin-4-yl)-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide

N-(1-methylpiperidin-4-yl)-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide (PubChem CID 19269078) has the molecular formula C18H22N8O and a molecular weight of 366.43 g/mol. Its IUPAC name is N-(1-methylpiperidin-4-yl)-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-methylpiperidin-4-yl)-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide
PubChem CID19269078
Molecular FormulaC18H22N8O
Molecular Weight366.43 g/mol
Exact Mass366.19
IUPAC NameN-(1-methylpiperidin-4-yl)-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide
SMILESCN1CCC(NC(=O)c2ccn(Cn3nnc(-c4ccccc4)n3)n2)CC1
InChIInChI=1S/C18H22N8O/c1-24-10-7-15(8-11-24)19-18(27)16-9-12-25(21-16)13-26-22-17(20-23-26)14-5-3-2-4-6-14/h2-6,9,12,15H,7-8,10-11,13H2,1H3,(H,19,27)
InChIKeyJNRVIXHHBZNXDJ-UHFFFAOYSA-N
XLogP0.87
TPSA93.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(1-methylpiperidin-4-yl)-1-(phenoxymethyl)pyrazole-3-carboxamide
CID 19271179
N-(1-methylpyrazol-3-yl)-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide
CID 19269125
N-(1-adamantyl)-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide
CID 19268926
N-(2,3,4,5,6-pentafluorophenyl)-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide
CID 4867083
1-[(2-methylphenoxy)methyl]-N-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide
CID 19277504
1-[(5-phenyltetrazol-2-yl)methyl]-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide
CID 19269179
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-[(5-phenyltetrazol-2-yl)methyl]pyrazol-3-yl]methanone
CID 42586969
N-(3,4-difluorophenyl)-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide
CID 4867261
1-[(5-phenyltetrazol-2-yl)methyl]-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 19268917
1-methyl-4-[[1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carbonyl]amino]-N-propylpyrazole-5-carboxamide
CID 4775206
N-(4-nitrophenyl)-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide
CID 19268913
1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide
CID 19264941

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpiperidin-4-yl)-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide?
The IUPAC name of N-(1-methylpiperidin-4-yl)-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide (CID 19269078) is N-(1-methylpiperidin-4-yl)-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-(1-methylpiperidin-4-yl)-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for N-(1-methylpiperidin-4-yl)-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide is CN1CCC(NC(=O)c2ccn(Cn3nnc(-c4ccccc4)n3)n2)CC1.
What is the InChIKey of N-(1-methylpiperidin-4-yl)-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide?
The InChIKey is JNRVIXHHBZNXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N8O/c1-24-10-7-15(8-11-24)19-18(27)16-9-12-25(21-16)13-26-22-17(20-23-26)14-5-3-2-4-6-14/h2-6,9,12,15H,7-8,10-11,13H2,1H3,(H,19,27).
What are the key properties of N-(1-methylpiperidin-4-yl)-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide?
N-(1-methylpiperidin-4-yl)-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 366.43 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpiperidin-4-yl)-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19269078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).