1-ethyl-N,N-dimethyl-4-[[2-methyl-2-(4-nitropyrazol-1-yl)propanoyl]amino]pyrazole-5-carboxamide

C15H21N7O4 — CID 19339924

IUPAC1-ethyl-N,N-dimethyl-4-[[2-methyl-2-(4-nitropyrazol-1-yl)propanoyl]amino]pyrazole-5-carboxamide
SMILESCCn1ncc(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)c1C(=O)N(C)C
InChIInChI=1S/C15H21N7O4/c1-6-20-12(13(23)19(4)5)11(8-16-20)18-14(24)15(2,3)21-9-10(7-17-21)22(25)26/h7-9H,6H2,1-5H3,(H,18,24)
InChIKeyLYRAXPDAABTIQD-UHFFFAOYSA-N
MW363.38 g/mol
LogP1.08
Rot. Bonds6

About 1-ethyl-N,N-dimethyl-4-[[2-methyl-2-(4-nitropyrazol-1-yl)propanoyl]amino]pyrazole-5-carboxamide

1-ethyl-N,N-dimethyl-4-[[2-methyl-2-(4-nitropyrazol-1-yl)propanoyl]amino]pyrazole-5-carboxamide (PubChem CID 19339924) has the molecular formula C15H21N7O4 and a molecular weight of 363.38 g/mol. Its IUPAC name is 1-ethyl-N,N-dimethyl-4-[[2-methyl-2-(4-nitropyrazol-1-yl)propanoyl]amino]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-N,N-dimethyl-4-[[2-methyl-2-(4-nitropyrazol-1-yl)propanoyl]amino]pyrazole-5-carboxamide
PubChem CID19339924
Molecular FormulaC15H21N7O4
Molecular Weight363.38 g/mol
Exact Mass363.17
IUPAC Name1-ethyl-N,N-dimethyl-4-[[2-methyl-2-(4-nitropyrazol-1-yl)propanoyl]amino]pyrazole-5-carboxamide
SMILESCCn1ncc(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)c1C(=O)N(C)C
InChIInChI=1S/C15H21N7O4/c1-6-20-12(13(23)19(4)5)11(8-16-20)18-14(24)15(2,3)21-9-10(7-17-21)22(25)26/h7-9H,6H2,1-5H3,(H,18,24)
InChIKeyLYRAXPDAABTIQD-UHFFFAOYSA-N
XLogP1.08
TPSA128.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

2-methyl-2-[4-[[2-methyl-2-(4-nitropyrazol-1-yl)propanoyl]amino]pyrazol-1-yl]propanoic acid
CID 120697796
1-ethyl-4-[[2-methyl-2-(4-nitropyrazol-1-yl)propanoyl]amino]-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19402613
N-[1-(ethoxymethyl)pyrazol-4-yl]-2-methyl-2-(4-nitropyrazol-1-yl)propanamide
CID 19340579
propan-2-yl 1-ethyl-4-[[2-methyl-2-(4-nitropyrazol-1-yl)propanoyl]amino]pyrazole-3-carboxylate
CID 19404475
ethyl 2-methyl-2-(4-nitropyrazol-1-yl)propanoate
CID 4773128
4-[[2-[3-(difluoromethyl)-5-methyl-4-nitropyrazol-1-yl]acetyl]amino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide
CID 19529241
4-[3-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide
CID 19549789
methyl 2-methyl-2-(4-nitropyrazol-1-yl)propanoate
CID 124527649
1-ethyl-N,N-dimethyl-4-[3-(3-methylpyrazol-1-yl)propanoylamino]pyrazole-5-carboxamide
CID 19559514
(2S)-2-[[2-methyl-2-(4-nitropyrazol-1-yl)propanoyl]amino]propanoic acid
CID 119238416
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methyl-2-(4-nitropyrazol-1-yl)propanamide
CID 19571772
N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-(4-nitropyrazol-1-yl)propanamide
CID 19555678

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N,N-dimethyl-4-[[2-methyl-2-(4-nitropyrazol-1-yl)propanoyl]amino]pyrazole-5-carboxamide?
The IUPAC name of 1-ethyl-N,N-dimethyl-4-[[2-methyl-2-(4-nitropyrazol-1-yl)propanoyl]amino]pyrazole-5-carboxamide (CID 19339924) is 1-ethyl-N,N-dimethyl-4-[[2-methyl-2-(4-nitropyrazol-1-yl)propanoyl]amino]pyrazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-N,N-dimethyl-4-[[2-methyl-2-(4-nitropyrazol-1-yl)propanoyl]amino]pyrazole-5-carboxamide?
The canonical SMILES for 1-ethyl-N,N-dimethyl-4-[[2-methyl-2-(4-nitropyrazol-1-yl)propanoyl]amino]pyrazole-5-carboxamide is CCn1ncc(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)c1C(=O)N(C)C.
What is the InChIKey of 1-ethyl-N,N-dimethyl-4-[[2-methyl-2-(4-nitropyrazol-1-yl)propanoyl]amino]pyrazole-5-carboxamide?
The InChIKey is LYRAXPDAABTIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7O4/c1-6-20-12(13(23)19(4)5)11(8-16-20)18-14(24)15(2,3)21-9-10(7-17-21)22(25)26/h7-9H,6H2,1-5H3,(H,18,24).
What are the key properties of 1-ethyl-N,N-dimethyl-4-[[2-methyl-2-(4-nitropyrazol-1-yl)propanoyl]amino]pyrazole-5-carboxamide?
1-ethyl-N,N-dimethyl-4-[[2-methyl-2-(4-nitropyrazol-1-yl)propanoyl]amino]pyrazole-5-carboxamide has a molecular weight of 363.38 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N,N-dimethyl-4-[[2-methyl-2-(4-nitropyrazol-1-yl)propanoyl]amino]pyrazole-5-carboxamide is sourced from PubChem (CID 19339924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).