N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-ethyl-N-methyl-4-nitropyrazole-3-carboxamide

C13H18N6O3 — CID 4769771

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-1-ethyl-N-methyl-4-nitropyrazole-3-carboxamide
SMILESCCn1cc([N+](=O)[O-])c(C(=O)N(C)Cc2cnn(C)c2C)n1
InChIInChI=1S/C13H18N6O3/c1-5-18-8-11(19(21)22)12(15-18)13(20)16(3)7-10-6-14-17(4)9(10)2/h6,8H,5,7H2,1-4H3
InChIKeyWECDQFBBNGQNDB-UHFFFAOYSA-N
MW306.33 g/mol
LogP1.13
Rot. Bonds5

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-ethyl-N-methyl-4-nitropyrazole-3-carboxamide

N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-ethyl-N-methyl-4-nitropyrazole-3-carboxamide (PubChem CID 4769771) has the molecular formula C13H18N6O3 and a molecular weight of 306.33 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-ethyl-N-methyl-4-nitropyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-1-ethyl-N-methyl-4-nitropyrazole-3-carboxamide
PubChem CID4769771
Molecular FormulaC13H18N6O3
Molecular Weight306.33 g/mol
Exact Mass306.14
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-1-ethyl-N-methyl-4-nitropyrazole-3-carboxamide
SMILESCCn1cc([N+](=O)[O-])c(C(=O)N(C)Cc2cnn(C)c2C)n1
InChIInChI=1S/C13H18N6O3/c1-5-18-8-11(19(21)22)12(15-18)13(20)16(3)7-10-6-14-17(4)9(10)2/h6,8H,5,7H2,1-4H3
InChIKeyWECDQFBBNGQNDB-UHFFFAOYSA-N
XLogP1.13
TPSA99.09 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 51.13
H-Bond Donors ≤ 50
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-[(1,5-dimethylpyrazol-4-yl)methyl]-N,1-dimethyl-4-nitropyrazole-3-carboxamide
CID 844685
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,1-dimethyl-4-nitropyrazole-3-carboxamide
CID 4769593
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1-ethyl-N-methyl-4-nitropyrazole-3-carboxamide
CID 19278061
1-ethyl-N,N-dimethyl-4-nitropyrazole-3-carboxamide
CID 163336271
4-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-nitrobenzamide
CID 17285305
4-chloro-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 19278131
4-bromo-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,1-dimethylpyrazole-3-carboxamide
CID 17020502
N-[(1,5-dimethylpyrazol-3-yl)methyl]-1-ethyl-4-nitropyrazole-3-carboxamide
CID 19328845
4-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19278224
ethyl 5-[(1-ethyl-4-nitropyrazole-3-carbonyl)amino]-1-methylpyrazole-4-carboxylate
CID 19263185
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-3-(4-nitropyrazol-1-yl)propanamide
CID 19575645
4-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,1,3-trimethylpyrazole-5-carboxamide
CID 19575688

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-ethyl-N-methyl-4-nitropyrazole-3-carboxamide?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-ethyl-N-methyl-4-nitropyrazole-3-carboxamide (CID 4769771) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-ethyl-N-methyl-4-nitropyrazole-3-carboxamide.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-ethyl-N-methyl-4-nitropyrazole-3-carboxamide?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-ethyl-N-methyl-4-nitropyrazole-3-carboxamide is CCn1cc([N+](=O)[O-])c(C(=O)N(C)Cc2cnn(C)c2C)n1.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-ethyl-N-methyl-4-nitropyrazole-3-carboxamide?
The InChIKey is WECDQFBBNGQNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O3/c1-5-18-8-11(19(21)22)12(15-18)13(20)16(3)7-10-6-14-17(4)9(10)2/h6,8H,5,7H2,1-4H3.
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-ethyl-N-methyl-4-nitropyrazole-3-carboxamide?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-ethyl-N-methyl-4-nitropyrazole-3-carboxamide has a molecular weight of 306.33 g/mol, XLogP of 1.13, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-ethyl-N-methyl-4-nitropyrazole-3-carboxamide is sourced from PubChem (CID 4769771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).