1-(cyclopropylmethyl)-N-methyl-4-nitropyrazole-5-carboxamide

C9H12N4O3 — CID 70098717

IUPAC1-(cyclopropylmethyl)-N-methyl-4-nitropyrazole-5-carboxamide
SMILESCNC(=O)c1c([N+](=O)[O-])cnn1CC1CC1
InChIInChI=1S/C9H12N4O3/c1-10-9(14)8-7(13(15)16)4-11-12(8)5-6-2-3-6/h4,6H,2-3,5H2,1H3,(H,10,14)
InChIKeyULODKULCSGIPJV-UHFFFAOYSA-N
MW224.22 g/mol
LogP0.56
Rot. Bonds4

About 1-(cyclopropylmethyl)-N-methyl-4-nitropyrazole-5-carboxamide

1-(cyclopropylmethyl)-N-methyl-4-nitropyrazole-5-carboxamide (PubChem CID 70098717) has the molecular formula C9H12N4O3 and a molecular weight of 224.22 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-N-methyl-4-nitropyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-N-methyl-4-nitropyrazole-5-carboxamide
PubChem CID70098717
Molecular FormulaC9H12N4O3
Molecular Weight224.22 g/mol
Exact Mass224.09
IUPAC Name1-(cyclopropylmethyl)-N-methyl-4-nitropyrazole-5-carboxamide
SMILESCNC(=O)c1c([N+](=O)[O-])cnn1CC1CC1
InChIInChI=1S/C9H12N4O3/c1-10-9(14)8-7(13(15)16)4-11-12(8)5-6-2-3-6/h4,6H,2-3,5H2,1H3,(H,10,14)
InChIKeyULODKULCSGIPJV-UHFFFAOYSA-N
XLogP0.56
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-N-methyl-4-nitropyrazole-5-carboxamide?
The IUPAC name of 1-(cyclopropylmethyl)-N-methyl-4-nitropyrazole-5-carboxamide (CID 70098717) is 1-(cyclopropylmethyl)-N-methyl-4-nitropyrazole-5-carboxamide.
What is the SMILES notation for 1-(cyclopropylmethyl)-N-methyl-4-nitropyrazole-5-carboxamide?
The canonical SMILES for 1-(cyclopropylmethyl)-N-methyl-4-nitropyrazole-5-carboxamide is CNC(=O)c1c([N+](=O)[O-])cnn1CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-N-methyl-4-nitropyrazole-5-carboxamide?
The InChIKey is ULODKULCSGIPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3/c1-10-9(14)8-7(13(15)16)4-11-12(8)5-6-2-3-6/h4,6H,2-3,5H2,1H3,(H,10,14).
What are the key properties of 1-(cyclopropylmethyl)-N-methyl-4-nitropyrazole-5-carboxamide?
1-(cyclopropylmethyl)-N-methyl-4-nitropyrazole-5-carboxamide has a molecular weight of 224.22 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-N-methyl-4-nitropyrazole-5-carboxamide is sourced from PubChem (CID 70098717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).