1-[(5-phenyltetrazol-2-yl)methyl]-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide

C18H23N7O2 — CID 19269179

IUPAC1-[(5-phenyltetrazol-2-yl)methyl]-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide
SMILESCC(C)OCCCNC(=O)c1ccn(Cn2nnc(-c3ccccc3)n2)n1
InChIInChI=1S/C18H23N7O2/c1-14(2)27-12-6-10-19-18(26)16-9-11-24(21-16)13-25-22-17(20-23-25)15-7-4-3-5-8-15/h3-5,7-9,11,14H,6,10,12-13H2,1-2H3,(H,19,26)
InChIKeyVFKUICIONWNNQM-UHFFFAOYSA-N
MW369.43 g/mol
LogP1.59
Rot. Bonds9

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

1-[(5-phenyltetrazol-2-yl)methyl]-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide (PubChem CID 19269179) has the molecular formula C18H23N7O2 and a molecular weight of 369.43 g/mol. Its IUPAC name is 1-[(5-phenyltetrazol-2-yl)methyl]-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(5-phenyltetrazol-2-yl)methyl]-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide
PubChem CID19269179
Molecular FormulaC18H23N7O2
Molecular Weight369.43 g/mol
Exact Mass369.19
IUPAC Name1-[(5-phenyltetrazol-2-yl)methyl]-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide
SMILESCC(C)OCCCNC(=O)c1ccn(Cn2nnc(-c3ccccc3)n2)n1
InChIInChI=1S/C18H23N7O2/c1-14(2)27-12-6-10-19-18(26)16-9-11-24(21-16)13-25-22-17(20-23-25)15-7-4-3-5-8-15/h3-5,7-9,11,14H,6,10,12-13H2,1-2H3,(H,19,26)
InChIKeyVFKUICIONWNNQM-UHFFFAOYSA-N
XLogP1.59
TPSA99.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1-methylpiperidin-4-yl)-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide
CID 19269078
N-(2,3,4,5,6-pentafluorophenyl)-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide
CID 4867083
1-methyl-4-[[1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carbonyl]amino]-N-propylpyrazole-5-carboxamide
CID 4775206
N-(1-methylpyrazol-3-yl)-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide
CID 19269125
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
N-(4-nitrophenyl)-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide
CID 19268913
1-[(2,4-dimethylphenoxy)methyl]-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide
CID 19275198
N-(1-adamantyl)-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide
CID 19268926
N-[2-(difluoromethoxy)-4-methylphenyl]-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide
CID 19269050
1-[(2-chloro-5-methylphenoxy)methyl]-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide
CID 19275783
ethyl 5-acetyl-4-methyl-2-[[1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carbonyl]amino]thiophene-3-carboxylate
CID 19268965

Frequently Asked Questions

What is the IUPAC name of 1-[(5-phenyltetrazol-2-yl)methyl]-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide?
The IUPAC name of 1-[(5-phenyltetrazol-2-yl)methyl]-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide (CID 19269179) is 1-[(5-phenyltetrazol-2-yl)methyl]-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-[(5-phenyltetrazol-2-yl)methyl]-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-[(5-phenyltetrazol-2-yl)methyl]-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide is CC(C)OCCCNC(=O)c1ccn(Cn2nnc(-c3ccccc3)n2)n1.
What is the InChIKey of 1-[(5-phenyltetrazol-2-yl)methyl]-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide?
The InChIKey is VFKUICIONWNNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O2/c1-14(2)27-12-6-10-19-18(26)16-9-11-24(21-16)13-25-22-17(20-23-25)15-7-4-3-5-8-15/h3-5,7-9,11,14H,6,10,12-13H2,1-2H3,(H,19,26).
What are the key properties of 1-[(5-phenyltetrazol-2-yl)methyl]-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide?
1-[(5-phenyltetrazol-2-yl)methyl]-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide has a molecular weight of 369.43 g/mol, XLogP of 1.59, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-phenyltetrazol-2-yl)methyl]-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19269179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).