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

C23H25N5O2 — CID 159573236

IUPAC3-[4-[5-(1H-indazol-5-ylmethyl)-4H-pyrazol-3-yl]phenoxy]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCOc1ccc(C2=NN=C(Cc3ccc4[nH]ncc4c3)C2)cc1
InChIInChI=1S/C23H25N5O2/c1-15(2)25-23(29)9-10-30-20-6-4-17(5-7-20)22-13-19(26-28-22)12-16-3-8-21-18(11-16)14-24-27-21/h3-8,11,14-15H,9-10,12-13H2,1-2H3,(H,24,27)(H,25,29)
InChIKeyRZXFDPFJTXPMCN-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.65
Rot. Bonds8

About 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]phenoxy]-N-propan-2-ylpropanamide (PubChem CID 159573236) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 3-[4-[5-(1H-indazol-5-ylmethyl)-4H-pyrazol-3-yl]phenoxy]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[4-[5-(1H-indazol-5-ylmethyl)-4H-pyrazol-3-yl]phenoxy]-N-propan-2-ylpropanamide
PubChem CID159573236
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name3-[4-[5-(1H-indazol-5-ylmethyl)-4H-pyrazol-3-yl]phenoxy]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCOc1ccc(C2=NN=C(Cc3ccc4[nH]ncc4c3)C2)cc1
InChIInChI=1S/C23H25N5O2/c1-15(2)25-23(29)9-10-30-20-6-4-17(5-7-20)22-13-19(26-28-22)12-16-3-8-21-18(11-16)14-24-27-21/h3-8,11,14-15H,9-10,12-13H2,1-2H3,(H,24,27)(H,25,29)
InChIKeyRZXFDPFJTXPMCN-UHFFFAOYSA-N
XLogP3.65
TPSA91.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[5-(1H-indazol-5-ylmethyl)-4H-pyrazol-3-yl]phenoxy]-N-propan-2-ylacetamide
CID 157063432
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)-4-pyridin-2-yl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide
CID 158064903
2-[4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]-3-methoxyphenoxy]-N-propan-2-ylacetamide
CID 162055821
3-[4-(3-hydroxyiminobutyl)phenoxy]-N-propan-2-ylpropanamide
CID 76947263
N-(1H-indazol-5-ylmethyl)propanamide
CID 165111571
3-(4-butan-2-ylphenoxy)-N-propan-2-ylpropanamide
CID 107669047
3-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-pyrrolidin-3-ylpropanamide
CID 139365631
3-[(5-amino-1H-indazol-6-yl)amino]-N-propan-2-ylpropanamide
CID 107490922
N-[(4-butoxyphenyl)methyl]-1H-indazol-5-amine
CID 30983712
3-(4-bromo-3-methylphenoxy)-N-propan-2-ylpropanamide
CID 83133367
2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide
CID 139365719

Frequently Asked Questions

What is the IUPAC name of 3-[4-[5-(1H-indazol-5-ylmethyl)-4H-pyrazol-3-yl]phenoxy]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[4-[5-(1H-indazol-5-ylmethyl)-4H-pyrazol-3-yl]phenoxy]-N-propan-2-ylpropanamide (CID 159573236) is 3-[4-[5-(1H-indazol-5-ylmethyl)-4H-pyrazol-3-yl]phenoxy]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[4-[5-(1H-indazol-5-ylmethyl)-4H-pyrazol-3-yl]phenoxy]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[4-[5-(1H-indazol-5-ylmethyl)-4H-pyrazol-3-yl]phenoxy]-N-propan-2-ylpropanamide is CC(C)NC(=O)CCOc1ccc(C2=NN=C(Cc3ccc4[nH]ncc4c3)C2)cc1.
What is the InChIKey of 3-[4-[5-(1H-indazol-5-ylmethyl)-4H-pyrazol-3-yl]phenoxy]-N-propan-2-ylpropanamide?
The InChIKey is RZXFDPFJTXPMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-15(2)25-23(29)9-10-30-20-6-4-17(5-7-20)22-13-19(26-28-22)12-16-3-8-21-18(11-16)14-24-27-21/h3-8,11,14-15H,9-10,12-13H2,1-2H3,(H,24,27)(H,25,29).
What are the key properties of 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]phenoxy]-N-propan-2-ylpropanamide has a molecular weight of 403.49 g/mol, XLogP of 3.65, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[5-(1H-indazol-5-ylmethyl)-4H-pyrazol-3-yl]phenoxy]-N-propan-2-ylpropanamide is sourced from PubChem (CID 159573236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).