N-cyclopropyl-1-(4-nitrophenyl)-5-propylpyrazole-4-carboxamide

C16H18N4O3 — CID 83282099

IUPACN-cyclopropyl-1-(4-nitrophenyl)-5-propylpyrazole-4-carboxamide
SMILESCCCc1c(C(=O)NC2CC2)cnn1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H18N4O3/c1-2-3-15-14(16(21)18-11-4-5-11)10-17-19(15)12-6-8-13(9-7-12)20(22)23/h6-11H,2-5H2,1H3,(H,18,21)
InChIKeyGCMTXCHLYHWXJO-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.63
Rot. Bonds6

About N-cyclopropyl-1-(4-nitrophenyl)-5-propylpyrazole-4-carboxamide

N-cyclopropyl-1-(4-nitrophenyl)-5-propylpyrazole-4-carboxamide (PubChem CID 83282099) has the molecular formula C16H18N4O3 and a molecular weight of 314.34 g/mol. Its IUPAC name is N-cyclopropyl-1-(4-nitrophenyl)-5-propylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(4-nitrophenyl)-5-propylpyrazole-4-carboxamide
PubChem CID83282099
Molecular FormulaC16H18N4O3
Molecular Weight314.34 g/mol
Exact Mass314.14
IUPAC NameN-cyclopropyl-1-(4-nitrophenyl)-5-propylpyrazole-4-carboxamide
SMILESCCCc1c(C(=O)NC2CC2)cnn1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H18N4O3/c1-2-3-15-14(16(21)18-11-4-5-11)10-17-19(15)12-6-8-13(9-7-12)20(22)23/h6-11H,2-5H2,1H3,(H,18,21)
InChIKeyGCMTXCHLYHWXJO-UHFFFAOYSA-N
XLogP2.63
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.63
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 N-cyclopropyl-1-(4-nitrophenyl)-5-propylpyrazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-(4-nitrophenyl)-5-propylpyrazole-4-carboxamide (CID 83282099) is N-cyclopropyl-1-(4-nitrophenyl)-5-propylpyrazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-(4-nitrophenyl)-5-propylpyrazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-(4-nitrophenyl)-5-propylpyrazole-4-carboxamide is CCCc1c(C(=O)NC2CC2)cnn1-c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-cyclopropyl-1-(4-nitrophenyl)-5-propylpyrazole-4-carboxamide?
The InChIKey is GCMTXCHLYHWXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-2-3-15-14(16(21)18-11-4-5-11)10-17-19(15)12-6-8-13(9-7-12)20(22)23/h6-11H,2-5H2,1H3,(H,18,21).
What are the key properties of N-cyclopropyl-1-(4-nitrophenyl)-5-propylpyrazole-4-carboxamide?
N-cyclopropyl-1-(4-nitrophenyl)-5-propylpyrazole-4-carboxamide has a molecular weight of 314.34 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(4-nitrophenyl)-5-propylpyrazole-4-carboxamide is sourced from PubChem (CID 83282099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).