3-(5-amino-4-cyanopyrazol-1-yl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]benzamide

C20H17N5O — CID 97212437

IUPAC3-(5-amino-4-cyanopyrazol-1-yl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]benzamide
SMILESN#Cc1cnn(-c2cccc(C(=O)N[C@@H]3CCc4ccccc43)c2)c1N
InChIInChI=1S/C20H17N5O/c21-11-15-12-23-25(19(15)22)16-6-3-5-14(10-16)20(26)24-18-9-8-13-4-1-2-7-17(13)18/h1-7,10,12,18H,8-9,22H2,(H,24,26)/t18-/m1/s1
InChIKeyQRPJLDZCLBTOMI-GOSISDBHSA-N
MW343.39 g/mol
LogP2.74
Rot. Bonds3

About 3-(5-amino-4-cyanopyrazol-1-yl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]benzamide

3-(5-amino-4-cyanopyrazol-1-yl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]benzamide (PubChem CID 97212437) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is 3-(5-amino-4-cyanopyrazol-1-yl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]benzamide.

Molecular Properties

Compound Name3-(5-amino-4-cyanopyrazol-1-yl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]benzamide
PubChem CID97212437
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC Name3-(5-amino-4-cyanopyrazol-1-yl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]benzamide
SMILESN#Cc1cnn(-c2cccc(C(=O)N[C@@H]3CCc4ccccc43)c2)c1N
InChIInChI=1S/C20H17N5O/c21-11-15-12-23-25(19(15)22)16-6-3-5-14(10-16)20(26)24-18-9-8-13-4-1-2-7-17(13)18/h1-7,10,12,18H,8-9,22H2,(H,24,26)/t18-/m1/s1
InChIKeyQRPJLDZCLBTOMI-GOSISDBHSA-N
XLogP2.74
TPSA96.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-4-cyanopyrazol-1-yl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]benzamide?
The IUPAC name of 3-(5-amino-4-cyanopyrazol-1-yl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]benzamide (CID 97212437) is 3-(5-amino-4-cyanopyrazol-1-yl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]benzamide.
What is the SMILES notation for 3-(5-amino-4-cyanopyrazol-1-yl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]benzamide?
The canonical SMILES for 3-(5-amino-4-cyanopyrazol-1-yl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]benzamide is N#Cc1cnn(-c2cccc(C(=O)N[C@@H]3CCc4ccccc43)c2)c1N.
What is the InChIKey of 3-(5-amino-4-cyanopyrazol-1-yl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]benzamide?
The InChIKey is QRPJLDZCLBTOMI-GOSISDBHSA-N. The full InChI is InChI=1S/C20H17N5O/c21-11-15-12-23-25(19(15)22)16-6-3-5-14(10-16)20(26)24-18-9-8-13-4-1-2-7-17(13)18/h1-7,10,12,18H,8-9,22H2,(H,24,26)/t18-/m1/s1.
What are the key properties of 3-(5-amino-4-cyanopyrazol-1-yl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]benzamide?
3-(5-amino-4-cyanopyrazol-1-yl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]benzamide has a molecular weight of 343.39 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-4-cyanopyrazol-1-yl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]benzamide is sourced from PubChem (CID 97212437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).