3-methoxy-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-4-nitro-1H-pyrazole-5-carboxamide

C19H16N6O4 — CID 19511042

IUPAC3-methoxy-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-4-nitro-1H-pyrazole-5-carboxamide
SMILESCOc1n[nH]c(C(=O)Nc2ccn(Cc3cccc4ccccc34)n2)c1[N+](=O)[O-]
InChIInChI=1S/C19H16N6O4/c1-29-19-17(25(27)28)16(21-22-19)18(26)20-15-9-10-24(23-15)11-13-7-4-6-12-5-2-3-8-14(12)13/h2-10H,11H2,1H3,(H,21,22)(H,20,23,26)
InChIKeyIAIPIPIEVLSELR-UHFFFAOYSA-N
MW392.38 g/mol
LogP2.98
Rot. Bonds6

About 3-methoxy-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-4-nitro-1H-pyrazole-5-carboxamide

3-methoxy-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-4-nitro-1H-pyrazole-5-carboxamide (PubChem CID 19511042) has the molecular formula C19H16N6O4 and a molecular weight of 392.38 g/mol. Its IUPAC name is 3-methoxy-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-4-nitro-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-4-nitro-1H-pyrazole-5-carboxamide
PubChem CID19511042
Molecular FormulaC19H16N6O4
Molecular Weight392.38 g/mol
Exact Mass392.12
IUPAC Name3-methoxy-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-4-nitro-1H-pyrazole-5-carboxamide
SMILESCOc1n[nH]c(C(=O)Nc2ccn(Cc3cccc4ccccc34)n2)c1[N+](=O)[O-]
InChIInChI=1S/C19H16N6O4/c1-29-19-17(25(27)28)16(21-22-19)18(26)20-15-9-10-24(23-15)11-13-7-4-6-12-5-2-3-8-14(12)13/h2-10H,11H2,1H3,(H,21,22)(H,20,23,26)
InChIKeyIAIPIPIEVLSELR-UHFFFAOYSA-N
XLogP2.98
TPSA127.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide
CID 19398605
N-(2-hydroxyphenyl)-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide
CID 19510884
N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-2-phenylacetamide
CID 19394819
N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide
CID 19511121
1-[(2,6-dimethoxyphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]pyrazole-3-carboxamide
CID 19277188
4-ethoxy-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzamide
CID 19394835
N-[4-bromo-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide
CID 19511037
N-[4-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide
CID 19511047
3-methoxy-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-4-nitro-1H-pyrazole-5-carboxamide
CID 19511058
4-chloro-1-methyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19481638
N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1,3-dimethyl-4-nitropyrazole-5-carboxamide
CID 998871
N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide
CID 19511020

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-4-nitro-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-methoxy-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-4-nitro-1H-pyrazole-5-carboxamide (CID 19511042) is 3-methoxy-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-4-nitro-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-methoxy-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-4-nitro-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-methoxy-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-4-nitro-1H-pyrazole-5-carboxamide is COc1n[nH]c(C(=O)Nc2ccn(Cc3cccc4ccccc34)n2)c1[N+](=O)[O-].
What is the InChIKey of 3-methoxy-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-4-nitro-1H-pyrazole-5-carboxamide?
The InChIKey is IAIPIPIEVLSELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O4/c1-29-19-17(25(27)28)16(21-22-19)18(26)20-15-9-10-24(23-15)11-13-7-4-6-12-5-2-3-8-14(12)13/h2-10H,11H2,1H3,(H,21,22)(H,20,23,26).
What are the key properties of 3-methoxy-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-4-nitro-1H-pyrazole-5-carboxamide?
3-methoxy-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-4-nitro-1H-pyrazole-5-carboxamide has a molecular weight of 392.38 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-4-nitro-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19511042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).