N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methyl-5-nitro-1H-pyrazole-3-carboxamide

C10H11ClN6O3 — CID 135748085

IUPACN-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methyl-5-nitro-1H-pyrazole-3-carboxamide
SMILESCN(Cc1c(Cl)cnn1C)C(=O)c1cc([N+](=O)[O-])[nH]n1
InChIInChI=1S/C10H11ClN6O3/c1-15(5-8-6(11)4-12-16(8)2)10(18)7-3-9(14-13-7)17(19)20/h3-4H,5H2,1-2H3,(H,13,14)
InChIKeyRBKDIPJQKMTCQG-UHFFFAOYSA-N
MW298.69 g/mol
LogP0.98
Rot. Bonds4

About N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methyl-5-nitro-1H-pyrazole-3-carboxamide

N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methyl-5-nitro-1H-pyrazole-3-carboxamide (PubChem CID 135748085) has the molecular formula C10H11ClN6O3 and a molecular weight of 298.69 g/mol. Its IUPAC name is N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methyl-5-nitro-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methyl-5-nitro-1H-pyrazole-3-carboxamide
PubChem CID135748085
Molecular FormulaC10H11ClN6O3
Molecular Weight298.69 g/mol
Exact Mass298.06
IUPAC NameN-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methyl-5-nitro-1H-pyrazole-3-carboxamide
SMILESCN(Cc1c(Cl)cnn1C)C(=O)c1cc([N+](=O)[O-])[nH]n1
InChIInChI=1S/C10H11ClN6O3/c1-15(5-8-6(11)4-12-16(8)2)10(18)7-3-9(14-13-7)17(19)20/h3-4H,5H2,1-2H3,(H,13,14)
InChIKeyRBKDIPJQKMTCQG-UHFFFAOYSA-N
XLogP0.98
TPSA109.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.69
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,2-dimethyl-3-nitrobenzamide
CID 19460511
4-bromo-N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-N-methyl-5-nitro-1H-pyrazole-3-carboxamide
CID 135748040
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methyl-2-(3-nitropyrazol-1-yl)acetamide
CID 19460595
4-chloro-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 19278145
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,2-dimethylbenzamide
CID 19460736
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1-ethyl-N-methyl-4-nitropyrazole-5-carboxamide
CID 19507703
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methyl-3-(3-methyl-4-nitropyrazol-1-yl)propanamide
CID 19460615
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methylbutanamide
CID 19460723
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methyl-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide
CID 19460542
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methyl-4-nitrobenzamide
CID 19464710
5-nitro-1H-pyrazole-3-carboxylic acid
CID 86222684
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-1-[(2,4-difluorophenoxy)methyl]-N-methylpyrazole-3-carboxamide
CID 19279022

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methyl-5-nitro-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methyl-5-nitro-1H-pyrazole-3-carboxamide (CID 135748085) is N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methyl-5-nitro-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methyl-5-nitro-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methyl-5-nitro-1H-pyrazole-3-carboxamide is CN(Cc1c(Cl)cnn1C)C(=O)c1cc([N+](=O)[O-])[nH]n1.
What is the InChIKey of N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methyl-5-nitro-1H-pyrazole-3-carboxamide?
The InChIKey is RBKDIPJQKMTCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN6O3/c1-15(5-8-6(11)4-12-16(8)2)10(18)7-3-9(14-13-7)17(19)20/h3-4H,5H2,1-2H3,(H,13,14).
What are the key properties of N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methyl-5-nitro-1H-pyrazole-3-carboxamide?
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methyl-5-nitro-1H-pyrazole-3-carboxamide has a molecular weight of 298.69 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methyl-5-nitro-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 135748085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).