1-ethyl-4-[(3-methoxy-4-nitro-1H-pyrazole-5-carbonyl)amino]-N-(2-methylpropyl)pyrazole-3-carboxamide

C15H21N7O5 — CID 19511123

IUPAC1-ethyl-4-[(3-methoxy-4-nitro-1H-pyrazole-5-carbonyl)amino]-N-(2-methylpropyl)pyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)c2[nH]nc(OC)c2[N+](=O)[O-])c(C(=O)NCC(C)C)n1
InChIInChI=1S/C15H21N7O5/c1-5-21-7-9(10(20-21)13(23)16-6-8(2)3)17-14(24)11-12(22(25)26)15(27-4)19-18-11/h7-8H,5-6H2,1-4H3,(H,16,23)(H,17,24)(H,18,19)
InChIKeyKEZIZRFFLNZBDF-UHFFFAOYSA-N
MW379.38 g/mol
LogP1.18
Rot. Bonds8

About 1-ethyl-4-[(3-methoxy-4-nitro-1H-pyrazole-5-carbonyl)amino]-N-(2-methylpropyl)pyrazole-3-carboxamide

1-ethyl-4-[(3-methoxy-4-nitro-1H-pyrazole-5-carbonyl)amino]-N-(2-methylpropyl)pyrazole-3-carboxamide (PubChem CID 19511123) has the molecular formula C15H21N7O5 and a molecular weight of 379.38 g/mol. Its IUPAC name is 1-ethyl-4-[(3-methoxy-4-nitro-1H-pyrazole-5-carbonyl)amino]-N-(2-methylpropyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-4-[(3-methoxy-4-nitro-1H-pyrazole-5-carbonyl)amino]-N-(2-methylpropyl)pyrazole-3-carboxamide
PubChem CID19511123
Molecular FormulaC15H21N7O5
Molecular Weight379.38 g/mol
Exact Mass379.16
IUPAC Name1-ethyl-4-[(3-methoxy-4-nitro-1H-pyrazole-5-carbonyl)amino]-N-(2-methylpropyl)pyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)c2[nH]nc(OC)c2[N+](=O)[O-])c(C(=O)NCC(C)C)n1
InChIInChI=1S/C15H21N7O5/c1-5-21-7-9(10(20-21)13(23)16-6-8(2)3)17-14(24)11-12(22(25)26)15(27-4)19-18-11/h7-8H,5-6H2,1-4H3,(H,16,23)(H,17,24)(H,18,19)
InChIKeyKEZIZRFFLNZBDF-UHFFFAOYSA-N
XLogP1.18
TPSA157.07 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 51.18
H-Bond Donors ≤ 53
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

1-ethyl-N-(furan-2-ylmethyl)-4-[(3-methoxy-4-nitro-1H-pyrazole-5-carbonyl)amino]pyrazole-3-carboxamide
CID 19511102
1-ethyl-4-[(4-methoxy-3-nitrobenzoyl)amino]-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19402551
1-ethyl-4-[[2-methyl-2-(4-nitropyrazol-1-yl)propanoyl]amino]-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19402613
4-[[2-[3-(difluoromethyl)-5-methyl-4-nitropyrazol-1-yl]acetyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19529203
N-(2-hydroxyphenyl)-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide
CID 19510884
1-ethyl-4-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19514654
1-ethyl-4-[2-(5-methyl-3-nitropyrazol-1-yl)butanoylamino]-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19553609
1-ethyl-4-[[2-(5-methyl-4-nitropyrazol-1-yl)acetyl]amino]-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19522625
N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide
CID 19511164
3-methoxy-4-nitro-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide
CID 19510890
1-ethyl-4-[(4-nitro-1H-pyrazole-5-carbonyl)amino]-N-propylpyrazole-3-carboxamide
CID 19398313
N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide
CID 19511121

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(3-methoxy-4-nitro-1H-pyrazole-5-carbonyl)amino]-N-(2-methylpropyl)pyrazole-3-carboxamide?
The IUPAC name of 1-ethyl-4-[(3-methoxy-4-nitro-1H-pyrazole-5-carbonyl)amino]-N-(2-methylpropyl)pyrazole-3-carboxamide (CID 19511123) is 1-ethyl-4-[(3-methoxy-4-nitro-1H-pyrazole-5-carbonyl)amino]-N-(2-methylpropyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-ethyl-4-[(3-methoxy-4-nitro-1H-pyrazole-5-carbonyl)amino]-N-(2-methylpropyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-ethyl-4-[(3-methoxy-4-nitro-1H-pyrazole-5-carbonyl)amino]-N-(2-methylpropyl)pyrazole-3-carboxamide is CCn1cc(NC(=O)c2[nH]nc(OC)c2[N+](=O)[O-])c(C(=O)NCC(C)C)n1.
What is the InChIKey of 1-ethyl-4-[(3-methoxy-4-nitro-1H-pyrazole-5-carbonyl)amino]-N-(2-methylpropyl)pyrazole-3-carboxamide?
The InChIKey is KEZIZRFFLNZBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7O5/c1-5-21-7-9(10(20-21)13(23)16-6-8(2)3)17-14(24)11-12(22(25)26)15(27-4)19-18-11/h7-8H,5-6H2,1-4H3,(H,16,23)(H,17,24)(H,18,19).
What are the key properties of 1-ethyl-4-[(3-methoxy-4-nitro-1H-pyrazole-5-carbonyl)amino]-N-(2-methylpropyl)pyrazole-3-carboxamide?
1-ethyl-4-[(3-methoxy-4-nitro-1H-pyrazole-5-carbonyl)amino]-N-(2-methylpropyl)pyrazole-3-carboxamide has a molecular weight of 379.38 g/mol, XLogP of 1.18, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(3-methoxy-4-nitro-1H-pyrazole-5-carbonyl)amino]-N-(2-methylpropyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19511123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).