2-[4-[5-(1H-indazol-5-ylmethyl)-4H-pyrazol-3-yl]phenoxy]-N-propan-2-ylacetamide

C22H23N5O2 — CID 157063432

IUPAC2-[4-[5-(1H-indazol-5-ylmethyl)-4H-pyrazol-3-yl]phenoxy]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)COc1ccc(C2=NN=C(Cc3ccc4[nH]ncc4c3)C2)cc1
InChIInChI=1S/C22H23N5O2/c1-14(2)24-22(28)13-29-19-6-4-16(5-7-19)21-11-18(25-27-21)10-15-3-8-20-17(9-15)12-23-26-20/h3-9,12,14H,10-11,13H2,1-2H3,(H,23,26)(H,24,28)
InChIKeyXKZFXXZFWAGIAG-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.26
Rot. Bonds7

About 2-[4-[5-(1H-indazol-5-ylmethyl)-4H-pyrazol-3-yl]phenoxy]-N-propan-2-ylacetamide

2-[4-[5-(1H-indazol-5-ylmethyl)-4H-pyrazol-3-yl]phenoxy]-N-propan-2-ylacetamide (PubChem CID 157063432) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-[4-[5-(1H-indazol-5-ylmethyl)-4H-pyrazol-3-yl]phenoxy]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[5-(1H-indazol-5-ylmethyl)-4H-pyrazol-3-yl]phenoxy]-N-propan-2-ylacetamide
PubChem CID157063432
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name2-[4-[5-(1H-indazol-5-ylmethyl)-4H-pyrazol-3-yl]phenoxy]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)COc1ccc(C2=NN=C(Cc3ccc4[nH]ncc4c3)C2)cc1
InChIInChI=1S/C22H23N5O2/c1-14(2)24-22(28)13-29-19-6-4-16(5-7-19)21-11-18(25-27-21)10-15-3-8-20-17(9-15)12-23-26-20/h3-9,12,14H,10-11,13H2,1-2H3,(H,23,26)(H,24,28)
InChIKeyXKZFXXZFWAGIAG-UHFFFAOYSA-N
XLogP3.26
TPSA91.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-[5-(1H-indazol-5-ylmethyl)-4H-pyrazol-3-yl]phenoxy]-N-propan-2-ylpropanamide
CID 159573236
2-[4-[5-(1H-indazol-5-ylmethyl)-4-pyridin-2-yl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide
CID 158064903
N-cyclopentyl-2-[4-[5-(1H-indazol-5-ylmethyl)-4H-pyrazol-3-yl]phenoxy]acetamide;N-cyclopropyl-2-[4-[5-(1H-indazol-5-ylmethyl)-4H-pyrazol-3-yl]phenoxy]acetamide;2-[3-fluoro-4-[5-(1H-indazol-5-ylmethyl)-4H-pyrazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylmethyl)-4H-pyrazol-3-yl]-3-methylphenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylmethyl)-4H-pyrazol-3-yl]phenoxy]acetic acid;2-[4-[5-(1H-indazol-5-ylmethyl)-4H-pyrazol-3-yl]phenoxy]ethanamine;2-[4-[5-(1H-indazol-5-ylmethyl)-4H-pyrazol-3-yl]phenoxy]-N-(oxolan-3-yl)acetamide;2-[4-[5-(1H-indazol-5-ylmethyl)-4H-pyrazol-3-yl]phenoxy]-N-propan-2-ylpropanamide;3-[4-[5-(1H-indazol-5-ylmethyl)-4H-pyrazol-3-yl]phenoxy]-N-propan-2-ylpropanamide;3-[4-[5-(1H-indazol-5-ylmethyl)-4H-pyrazol-3-yl]phenyl]-N-propan-2-ylpropanamide;5-[[5-(4-methoxyphenyl)-4H-pyrazol-3-yl]methyl]-1H-indazole
CID 159573227
2-[4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]-3-methoxyphenoxy]-N-propan-2-ylacetamide
CID 162055821
2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]-3-methoxyphenoxy]-N-propan-2-ylacetamide
CID 139365624
2-[3-[4-(1H-indazol-5-ylamino)-6-methylpyrimidin-2-yl]phenoxy]-N-propan-2-ylacetamide
CID 118334773
2-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenoxy]-N-propan-2-ylacetamide
CID 11950170
2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide
CID 139365719
N-(1H-indazol-5-yl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 55774547
2-[3-fluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide
CID 153329046
2-[4-[3-(methylamino)butyl]phenoxy]-N-propan-2-ylacetamide
CID 43279744
2-[3-[4-(1H-indazol-5-ylamino)imidazo[5,1-f][1,2,4]triazin-2-yl]phenoxy]-N-propan-2-ylacetamide
CID 155227874

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(1H-indazol-5-ylmethyl)-4H-pyrazol-3-yl]phenoxy]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-[5-(1H-indazol-5-ylmethyl)-4H-pyrazol-3-yl]phenoxy]-N-propan-2-ylacetamide (CID 157063432) is 2-[4-[5-(1H-indazol-5-ylmethyl)-4H-pyrazol-3-yl]phenoxy]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-[5-(1H-indazol-5-ylmethyl)-4H-pyrazol-3-yl]phenoxy]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-[5-(1H-indazol-5-ylmethyl)-4H-pyrazol-3-yl]phenoxy]-N-propan-2-ylacetamide is CC(C)NC(=O)COc1ccc(C2=NN=C(Cc3ccc4[nH]ncc4c3)C2)cc1.
What is the InChIKey of 2-[4-[5-(1H-indazol-5-ylmethyl)-4H-pyrazol-3-yl]phenoxy]-N-propan-2-ylacetamide?
The InChIKey is XKZFXXZFWAGIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-14(2)24-22(28)13-29-19-6-4-16(5-7-19)21-11-18(25-27-21)10-15-3-8-20-17(9-15)12-23-26-20/h3-9,12,14H,10-11,13H2,1-2H3,(H,23,26)(H,24,28).
What are the key properties of 2-[4-[5-(1H-indazol-5-ylmethyl)-4H-pyrazol-3-yl]phenoxy]-N-propan-2-ylacetamide?
2-[4-[5-(1H-indazol-5-ylmethyl)-4H-pyrazol-3-yl]phenoxy]-N-propan-2-ylacetamide has a molecular weight of 389.46 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(1H-indazol-5-ylmethyl)-4H-pyrazol-3-yl]phenoxy]-N-propan-2-ylacetamide is sourced from PubChem (CID 157063432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).