N-cyclopropyl-3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-sulfonamide

C21H21N5O2S — CID 118960335

IUPACN-cyclopropyl-3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-sulfonamide
SMILESCn1cc(-c2ccc(Cc3[nH]nc4ccc(S(=O)(=O)NC5CC5)cc34)cc2)cn1
InChIInChI=1S/C21H21N5O2S/c1-26-13-16(12-22-26)15-4-2-14(3-5-15)10-21-19-11-18(8-9-20(19)23-24-21)29(27,28)25-17-6-7-17/h2-5,8-9,11-13,17,25H,6-7,10H2,1H3,(H,23,24)
InChIKeyWVZGDHXIWUSKHK-UHFFFAOYSA-N
MW407.50 g/mol
LogP2.99
Rot. Bonds6

About N-cyclopropyl-3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-sulfonamide

N-cyclopropyl-3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-sulfonamide (PubChem CID 118960335) has the molecular formula C21H21N5O2S and a molecular weight of 407.50 g/mol. Its IUPAC name is N-cyclopropyl-3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-sulfonamide
PubChem CID118960335
Molecular FormulaC21H21N5O2S
Molecular Weight407.50 g/mol
Exact Mass407.14
IUPAC NameN-cyclopropyl-3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-sulfonamide
SMILESCn1cc(-c2ccc(Cc3[nH]nc4ccc(S(=O)(=O)NC5CC5)cc34)cc2)cn1
InChIInChI=1S/C21H21N5O2S/c1-26-13-16(12-22-26)15-4-2-14(3-5-15)10-21-19-11-18(8-9-20(19)23-24-21)29(27,28)25-17-6-7-17/h2-5,8-9,11-13,17,25H,6-7,10H2,1H3,(H,23,24)
InChIKeyWVZGDHXIWUSKHK-UHFFFAOYSA-N
XLogP2.99
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-sulfonamide?
The IUPAC name of N-cyclopropyl-3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-sulfonamide (CID 118960335) is N-cyclopropyl-3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-sulfonamide.
What is the SMILES notation for N-cyclopropyl-3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-sulfonamide?
The canonical SMILES for N-cyclopropyl-3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-sulfonamide is Cn1cc(-c2ccc(Cc3[nH]nc4ccc(S(=O)(=O)NC5CC5)cc34)cc2)cn1.
What is the InChIKey of N-cyclopropyl-3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-sulfonamide?
The InChIKey is WVZGDHXIWUSKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2S/c1-26-13-16(12-22-26)15-4-2-14(3-5-15)10-21-19-11-18(8-9-20(19)23-24-21)29(27,28)25-17-6-7-17/h2-5,8-9,11-13,17,25H,6-7,10H2,1H3,(H,23,24).
What are the key properties of N-cyclopropyl-3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-sulfonamide?
N-cyclopropyl-3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-sulfonamide has a molecular weight of 407.50 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-sulfonamide is sourced from PubChem (CID 118960335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).