N,5-dimethyl-4-nitro-N-quinolin-2-yl-1H-pyrazole-3-carboxamide

C15H13N5O3 — CID 71983953

IUPACN,5-dimethyl-4-nitro-N-quinolin-2-yl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)N(C)c2ccc3ccccc3n2)c1[N+](=O)[O-]
InChIInChI=1S/C15H13N5O3/c1-9-14(20(22)23)13(18-17-9)15(21)19(2)12-8-7-10-5-3-4-6-11(10)16-12/h3-8H,1-2H3,(H,17,18)
InChIKeyDRDMJEABYSSYID-UHFFFAOYSA-N
MW311.30 g/mol
LogP2.45
Rot. Bonds3

About N,5-dimethyl-4-nitro-N-quinolin-2-yl-1H-pyrazole-3-carboxamide

N,5-dimethyl-4-nitro-N-quinolin-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 71983953) has the molecular formula C15H13N5O3 and a molecular weight of 311.30 g/mol. Its IUPAC name is N,5-dimethyl-4-nitro-N-quinolin-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN,5-dimethyl-4-nitro-N-quinolin-2-yl-1H-pyrazole-3-carboxamide
PubChem CID71983953
Molecular FormulaC15H13N5O3
Molecular Weight311.30 g/mol
Exact Mass311.10
IUPAC NameN,5-dimethyl-4-nitro-N-quinolin-2-yl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)N(C)c2ccc3ccccc3n2)c1[N+](=O)[O-]
InChIInChI=1S/C15H13N5O3/c1-9-14(20(22)23)13(18-17-9)15(21)19(2)12-8-7-10-5-3-4-6-11(10)16-12/h3-8H,1-2H3,(H,17,18)
InChIKeyDRDMJEABYSSYID-UHFFFAOYSA-N
XLogP2.45
TPSA105.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-4-nitro-N-quinolin-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N,5-dimethyl-4-nitro-N-quinolin-2-yl-1H-pyrazole-3-carboxamide (CID 71983953) is N,5-dimethyl-4-nitro-N-quinolin-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N,5-dimethyl-4-nitro-N-quinolin-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N,5-dimethyl-4-nitro-N-quinolin-2-yl-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)N(C)c2ccc3ccccc3n2)c1[N+](=O)[O-].
What is the InChIKey of N,5-dimethyl-4-nitro-N-quinolin-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is DRDMJEABYSSYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O3/c1-9-14(20(22)23)13(18-17-9)15(21)19(2)12-8-7-10-5-3-4-6-11(10)16-12/h3-8H,1-2H3,(H,17,18).
What are the key properties of N,5-dimethyl-4-nitro-N-quinolin-2-yl-1H-pyrazole-3-carboxamide?
N,5-dimethyl-4-nitro-N-quinolin-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 311.30 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-4-nitro-N-quinolin-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 71983953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).