N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide

C17H17N9O2 — CID 56884552

IUPACN-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide
SMILESCOc1cccc(-n2cc(CN(C)C(=O)c3cn[nH]c3-n3cnnn3)cn2)c1
InChIInChI=1S/C17H17N9O2/c1-24(17(27)15-8-18-21-16(15)26-11-19-22-23-26)9-12-7-20-25(10-12)13-4-3-5-14(6-13)28-2/h3-8,10-11H,9H2,1-2H3,(H,18,21)
InChIKeyJWGWIDOGWYOLNV-UHFFFAOYSA-N
MW379.38 g/mol
LogP0.85
Rot. Bonds6

About N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide

N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide (PubChem CID 56884552) has the molecular formula C17H17N9O2 and a molecular weight of 379.38 g/mol. Its IUPAC name is N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide
PubChem CID56884552
Molecular FormulaC17H17N9O2
Molecular Weight379.38 g/mol
Exact Mass379.15
IUPAC NameN-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide
SMILESCOc1cccc(-n2cc(CN(C)C(=O)c3cn[nH]c3-n3cnnn3)cn2)c1
InChIInChI=1S/C17H17N9O2/c1-24(17(27)15-8-18-21-16(15)26-11-19-22-23-26)9-12-7-20-25(10-12)13-4-3-5-14(6-13)28-2/h3-8,10-11H,9H2,1-2H3,(H,18,21)
InChIKeyJWGWIDOGWYOLNV-UHFFFAOYSA-N
XLogP0.85
TPSA119.64 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-4-(tetrazol-1-yl)butanamide
CID 70731822
N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide
CID 77094882
(1S,5R)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-3-azabicyclo[3.1.0]hexane-6-carboxamide;hydrochloride
CID 154897157
N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylindolizine-3-carboxamide
CID 162630973
N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N,2,3-trimethylimidazo[4,5-b]pyridine-7-carboxamide
CID 157014594
N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-1-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxamide
CID 26335479
N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-2-(N-methylanilino)acetamide
CID 70732597
5-amino-N-[(3-methoxyphenyl)methyl]-N-methyl-1H-pyrazole-4-carboxamide
CID 61418056
2-hydroxy-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 24551539
2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylacetamide
CID 95897893
(3R)-3-imidazol-1-yl-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylbutanamide
CID 95894294
3-fluoro-4-methoxy-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8962106

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide (CID 56884552) is N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide is COc1cccc(-n2cc(CN(C)C(=O)c3cn[nH]c3-n3cnnn3)cn2)c1.
What is the InChIKey of N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide?
The InChIKey is JWGWIDOGWYOLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N9O2/c1-24(17(27)15-8-18-21-16(15)26-11-19-22-23-26)9-12-7-20-25(10-12)13-4-3-5-14(6-13)28-2/h3-8,10-11H,9H2,1-2H3,(H,18,21).
What are the key properties of N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide?
N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide has a molecular weight of 379.38 g/mol, XLogP of 0.85, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 56884552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).