N-propan-2-yl-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-7-carboxamide

C17H18N4O — CID 135516734

IUPACN-propan-2-yl-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-7-carboxamide
SMILESCC(C)NC(=O)c1ccc2[nH]c3c(c2c1)CCc1cn[nH]c1-3
InChIInChI=1S/C17H18N4O/c1-9(2)19-17(22)10-4-6-14-13(7-10)12-5-3-11-8-18-21-15(11)16(12)20-14/h4,6-9,20H,3,5H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyWADNTDFORISEMK-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.79
Rot. Bonds2

About N-propan-2-yl-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-7-carboxamide

N-propan-2-yl-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-7-carboxamide (PubChem CID 135516734) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is N-propan-2-yl-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-7-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-7-carboxamide
PubChem CID135516734
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC NameN-propan-2-yl-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-7-carboxamide
SMILESCC(C)NC(=O)c1ccc2[nH]c3c(c2c1)CCc1cn[nH]c1-3
InChIInChI=1S/C17H18N4O/c1-9(2)19-17(22)10-4-6-14-13(7-10)12-5-3-11-8-18-21-15(11)16(12)20-14/h4,6-9,20H,3,5H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyWADNTDFORISEMK-UHFFFAOYSA-N
XLogP2.79
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-7-carboxamide?
The IUPAC name of N-propan-2-yl-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-7-carboxamide (CID 135516734) is N-propan-2-yl-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-7-carboxamide.
What is the SMILES notation for N-propan-2-yl-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-7-carboxamide?
The canonical SMILES for N-propan-2-yl-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-7-carboxamide is CC(C)NC(=O)c1ccc2[nH]c3c(c2c1)CCc1cn[nH]c1-3.
What is the InChIKey of N-propan-2-yl-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-7-carboxamide?
The InChIKey is WADNTDFORISEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-9(2)19-17(22)10-4-6-14-13(7-10)12-5-3-11-8-18-21-15(11)16(12)20-14/h4,6-9,20H,3,5H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of N-propan-2-yl-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-7-carboxamide?
N-propan-2-yl-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-7-carboxamide has a molecular weight of 294.36 g/mol, XLogP of 2.79, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-7-carboxamide is sourced from PubChem (CID 135516734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).