N-[2-[[2-(3-nitropyrazol-1-yl)acetyl]amino]ethyl]-1H-indazole-3-carboxamide

C15H15N7O4 — CID 99334516

IUPACN-[2-[[2-(3-nitropyrazol-1-yl)acetyl]amino]ethyl]-1H-indazole-3-carboxamide
SMILESO=C(Cn1ccc([N+](=O)[O-])n1)NCCNC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C15H15N7O4/c23-13(9-21-8-5-12(20-21)22(25)26)16-6-7-17-15(24)14-10-3-1-2-4-11(10)18-19-14/h1-5,8H,6-7,9H2,(H,16,23)(H,17,24)(H,18,19)
InChIKeyFKYXLNRJCOPQSQ-UHFFFAOYSA-N
MW357.33 g/mol
LogP0.21
Rot. Bonds7

About N-[2-[[2-(3-nitropyrazol-1-yl)acetyl]amino]ethyl]-1H-indazole-3-carboxamide

N-[2-[[2-(3-nitropyrazol-1-yl)acetyl]amino]ethyl]-1H-indazole-3-carboxamide (PubChem CID 99334516) has the molecular formula C15H15N7O4 and a molecular weight of 357.33 g/mol. Its IUPAC name is N-[2-[[2-(3-nitropyrazol-1-yl)acetyl]amino]ethyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(3-nitropyrazol-1-yl)acetyl]amino]ethyl]-1H-indazole-3-carboxamide
PubChem CID99334516
Molecular FormulaC15H15N7O4
Molecular Weight357.33 g/mol
Exact Mass357.12
IUPAC NameN-[2-[[2-(3-nitropyrazol-1-yl)acetyl]amino]ethyl]-1H-indazole-3-carboxamide
SMILESO=C(Cn1ccc([N+](=O)[O-])n1)NCCNC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C15H15N7O4/c23-13(9-21-8-5-12(20-21)22(25)26)16-6-7-17-15(24)14-10-3-1-2-4-11(10)18-19-14/h1-5,8H,6-7,9H2,(H,16,23)(H,17,24)(H,18,19)
InChIKeyFKYXLNRJCOPQSQ-UHFFFAOYSA-N
XLogP0.21
TPSA147.84 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.33
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-2-(3-nitropyrazol-1-yl)acetamide
CID 841686
N-(3-methoxypropyl)-2-(3-nitropyrazol-1-yl)acetamide
CID 19521736
N-(3-aminobutyl)-2-(3-nitropyrazol-1-yl)acetamide;hydrochloride
CID 119495111
N-[2-[(3-nitro-4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]ethyl]-1H-indazole-3-carboxamide
CID 51133897
N-[3-(dimethylamino)propyl]-2-(3-nitropyrazol-1-yl)acetamide
CID 19521579
N-[2-(2-methylprop-2-enoxy)ethyl]-2-(3-nitropyrazol-1-yl)acetamide
CID 115700396
N-(3-amino-3-oxopropyl)-1H-indazole-3-carboxamide
CID 63081541
N-(2-iodophenyl)-2-(3-nitropyrazol-1-yl)acetamide
CID 47239868
N-[3-oxo-3-[[3-oxo-3-(pyridin-2-ylamino)propyl]amino]propyl]-1H-indazole-3-carboxamide
CID 99433492
N-[2-[(2-piperidin-4-ylacetyl)amino]ethyl]-1H-indazole-3-carboxamide
CID 170858443
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-indazole-3-carboxamide
CID 63362646
N-[(2-methylpyrazol-3-yl)methyl]-2-(3-nitropyrazol-1-yl)acetamide
CID 19521589

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(3-nitropyrazol-1-yl)acetyl]amino]ethyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[2-[[2-(3-nitropyrazol-1-yl)acetyl]amino]ethyl]-1H-indazole-3-carboxamide (CID 99334516) is N-[2-[[2-(3-nitropyrazol-1-yl)acetyl]amino]ethyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[2-[[2-(3-nitropyrazol-1-yl)acetyl]amino]ethyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[2-[[2-(3-nitropyrazol-1-yl)acetyl]amino]ethyl]-1H-indazole-3-carboxamide is O=C(Cn1ccc([N+](=O)[O-])n1)NCCNC(=O)c1n[nH]c2ccccc12.
What is the InChIKey of N-[2-[[2-(3-nitropyrazol-1-yl)acetyl]amino]ethyl]-1H-indazole-3-carboxamide?
The InChIKey is FKYXLNRJCOPQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N7O4/c23-13(9-21-8-5-12(20-21)22(25)26)16-6-7-17-15(24)14-10-3-1-2-4-11(10)18-19-14/h1-5,8H,6-7,9H2,(H,16,23)(H,17,24)(H,18,19).
What are the key properties of N-[2-[[2-(3-nitropyrazol-1-yl)acetyl]amino]ethyl]-1H-indazole-3-carboxamide?
N-[2-[[2-(3-nitropyrazol-1-yl)acetyl]amino]ethyl]-1H-indazole-3-carboxamide has a molecular weight of 357.33 g/mol, XLogP of 0.21, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(3-nitropyrazol-1-yl)acetyl]amino]ethyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 99334516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).