5-hydroxy-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide

C16H16N4O2 — CID 118425233

IUPAC5-hydroxy-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide
SMILESCn1cc(C2(NC(=O)c3cc4cc(O)ccc4[nH]3)CC2)cn1
InChIInChI=1S/C16H16N4O2/c1-20-9-11(8-17-20)16(4-5-16)19-15(22)14-7-10-6-12(21)2-3-13(10)18-14/h2-3,6-9,18,21H,4-5H2,1H3,(H,19,22)
InChIKeyWTMUNPAUBRQNLG-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.03
Rot. Bonds3

About 5-hydroxy-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide

5-hydroxy-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide (PubChem CID 118425233) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 5-hydroxy-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-hydroxy-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide
PubChem CID118425233
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name5-hydroxy-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide
SMILESCn1cc(C2(NC(=O)c3cc4cc(O)ccc4[nH]3)CC2)cn1
InChIInChI=1S/C16H16N4O2/c1-20-9-11(8-17-20)16(4-5-16)19-15(22)14-7-10-6-12(21)2-3-13(10)18-14/h2-3,6-9,18,21H,4-5H2,1H3,(H,19,22)
InChIKeyWTMUNPAUBRQNLG-UHFFFAOYSA-N
XLogP2.03
TPSA82.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-hydroxy-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide (CID 118425233) is 5-hydroxy-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-hydroxy-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-hydroxy-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide is Cn1cc(C2(NC(=O)c3cc4cc(O)ccc4[nH]3)CC2)cn1.
What is the InChIKey of 5-hydroxy-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide?
The InChIKey is WTMUNPAUBRQNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-20-9-11(8-17-20)16(4-5-16)19-15(22)14-7-10-6-12(21)2-3-13(10)18-14/h2-3,6-9,18,21H,4-5H2,1H3,(H,19,22).
What are the key properties of 5-hydroxy-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide?
5-hydroxy-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 2.03, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 118425233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).