N-hydroxy-3-phenyl-2-[5-(1,3,5-trimethylpyrazol-4-yl)indazol-1-yl]propanamide

C22H23N5O2 — CID 126601415

IUPACN-hydroxy-3-phenyl-2-[5-(1,3,5-trimethylpyrazol-4-yl)indazol-1-yl]propanamide
SMILESCc1nn(C)c(C)c1-c1ccc2c(cnn2C(Cc2ccccc2)C(=O)NO)c1
InChIInChI=1S/C22H23N5O2/c1-14-21(15(2)26(3)24-14)17-9-10-19-18(12-17)13-23-27(19)20(22(28)25-29)11-16-7-5-4-6-8-16/h4-10,12-13,20,29H,11H2,1-3H3,(H,25,28)
InChIKeyBNQJVRDNHPTMBN-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.34
Rot. Bonds5

About N-hydroxy-3-phenyl-2-[5-(1,3,5-trimethylpyrazol-4-yl)indazol-1-yl]propanamide

N-hydroxy-3-phenyl-2-[5-(1,3,5-trimethylpyrazol-4-yl)indazol-1-yl]propanamide (PubChem CID 126601415) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-hydroxy-3-phenyl-2-[5-(1,3,5-trimethylpyrazol-4-yl)indazol-1-yl]propanamide.

Molecular Properties

Compound NameN-hydroxy-3-phenyl-2-[5-(1,3,5-trimethylpyrazol-4-yl)indazol-1-yl]propanamide
PubChem CID126601415
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC NameN-hydroxy-3-phenyl-2-[5-(1,3,5-trimethylpyrazol-4-yl)indazol-1-yl]propanamide
SMILESCc1nn(C)c(C)c1-c1ccc2c(cnn2C(Cc2ccccc2)C(=O)NO)c1
InChIInChI=1S/C22H23N5O2/c1-14-21(15(2)26(3)24-14)17-9-10-19-18(12-17)13-23-27(19)20(22(28)25-29)11-16-7-5-4-6-8-16/h4-10,12-13,20,29H,11H2,1-3H3,(H,25,28)
InChIKeyBNQJVRDNHPTMBN-UHFFFAOYSA-N
XLogP3.34
TPSA84.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-phenyl-2-[5-(1,3,5-trimethylpyrazol-4-yl)indazol-1-yl]propanamide?
The IUPAC name of N-hydroxy-3-phenyl-2-[5-(1,3,5-trimethylpyrazol-4-yl)indazol-1-yl]propanamide (CID 126601415) is N-hydroxy-3-phenyl-2-[5-(1,3,5-trimethylpyrazol-4-yl)indazol-1-yl]propanamide.
What is the SMILES notation for N-hydroxy-3-phenyl-2-[5-(1,3,5-trimethylpyrazol-4-yl)indazol-1-yl]propanamide?
The canonical SMILES for N-hydroxy-3-phenyl-2-[5-(1,3,5-trimethylpyrazol-4-yl)indazol-1-yl]propanamide is Cc1nn(C)c(C)c1-c1ccc2c(cnn2C(Cc2ccccc2)C(=O)NO)c1.
What is the InChIKey of N-hydroxy-3-phenyl-2-[5-(1,3,5-trimethylpyrazol-4-yl)indazol-1-yl]propanamide?
The InChIKey is BNQJVRDNHPTMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-14-21(15(2)26(3)24-14)17-9-10-19-18(12-17)13-23-27(19)20(22(28)25-29)11-16-7-5-4-6-8-16/h4-10,12-13,20,29H,11H2,1-3H3,(H,25,28).
What are the key properties of N-hydroxy-3-phenyl-2-[5-(1,3,5-trimethylpyrazol-4-yl)indazol-1-yl]propanamide?
N-hydroxy-3-phenyl-2-[5-(1,3,5-trimethylpyrazol-4-yl)indazol-1-yl]propanamide has a molecular weight of 389.46 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-phenyl-2-[5-(1,3,5-trimethylpyrazol-4-yl)indazol-1-yl]propanamide is sourced from PubChem (CID 126601415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).