N-propan-2-yl-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-6-carboxamide

C17H18N4O — CID 135516733

IUPACN-propan-2-yl-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-6-carboxamide
SMILESCC(C)NC(=O)c1cccc2[nH]c3c(c12)CCc1cn[nH]c1-3
InChIInChI=1S/C17H18N4O/c1-9(2)19-17(22)12-4-3-5-13-14(12)11-7-6-10-8-18-21-15(10)16(11)20-13/h3-5,8-9,20H,6-7H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyYONBJHQHMIYQKB-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.79
Rot. Bonds2

About N-propan-2-yl-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-6-carboxamide

N-propan-2-yl-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-6-carboxamide (PubChem CID 135516733) 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-6-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-6-carboxamide
PubChem CID135516733
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC NameN-propan-2-yl-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-6-carboxamide
SMILESCC(C)NC(=O)c1cccc2[nH]c3c(c12)CCc1cn[nH]c1-3
InChIInChI=1S/C17H18N4O/c1-9(2)19-17(22)12-4-3-5-13-14(12)11-7-6-10-8-18-21-15(10)16(11)20-13/h3-5,8-9,20H,6-7H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyYONBJHQHMIYQKB-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

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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-6-carboxamide?
The IUPAC name of N-propan-2-yl-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-6-carboxamide (CID 135516733) is N-propan-2-yl-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-6-carboxamide.
What is the SMILES notation for N-propan-2-yl-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-6-carboxamide?
The canonical SMILES for N-propan-2-yl-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-6-carboxamide is CC(C)NC(=O)c1cccc2[nH]c3c(c12)CCc1cn[nH]c1-3.
What is the InChIKey of N-propan-2-yl-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-6-carboxamide?
The InChIKey is YONBJHQHMIYQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-9(2)19-17(22)12-4-3-5-13-14(12)11-7-6-10-8-18-21-15(10)16(11)20-13/h3-5,8-9,20H,6-7H2,1-2H3,(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-6-carboxamide?
N-propan-2-yl-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-6-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-6-carboxamide is sourced from PubChem (CID 135516733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).