N-[4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]-3-[(2-phenylacetyl)amino]propanamide

C21H22N4O3 — CID 99716304

IUPACN-[4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]-3-[(2-phenylacetyl)amino]propanamide
SMILESCc1cc(Oc2ccc(NC(=O)CCNC(=O)Cc3ccccc3)cc2)n[nH]1
InChIInChI=1S/C21H22N4O3/c1-15-13-21(25-24-15)28-18-9-7-17(8-10-18)23-19(26)11-12-22-20(27)14-16-5-3-2-4-6-16/h2-10,13H,11-12,14H2,1H3,(H,22,27)(H,23,26)(H,24,25)
InChIKeyBVWZVZKWJGAHNB-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.20
Rot. Bonds8

About N-[4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]-3-[(2-phenylacetyl)amino]propanamide

N-[4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]-3-[(2-phenylacetyl)amino]propanamide (PubChem CID 99716304) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-[4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]-3-[(2-phenylacetyl)amino]propanamide.

Molecular Properties

Compound NameN-[4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]-3-[(2-phenylacetyl)amino]propanamide
PubChem CID99716304
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC NameN-[4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]-3-[(2-phenylacetyl)amino]propanamide
SMILESCc1cc(Oc2ccc(NC(=O)CCNC(=O)Cc3ccccc3)cc2)n[nH]1
InChIInChI=1S/C21H22N4O3/c1-15-13-21(25-24-15)28-18-9-7-17(8-10-18)23-19(26)11-12-22-20(27)14-16-5-3-2-4-6-16/h2-10,13H,11-12,14H2,1H3,(H,22,27)(H,23,26)(H,24,25)
InChIKeyBVWZVZKWJGAHNB-UHFFFAOYSA-N
XLogP3.20
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-methoxyphenoxy)phenyl]-3-[(2-phenylacetyl)amino]propanamide
CID 18139288
2-methyl-N-[4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]furan-3-carboxamide
CID 122143791
N-(4-ethoxyphenyl)-4-[3-[(2-phenylacetyl)amino]propanoylamino]benzamide
CID 55486447
N-[3-[4-(4-methylphenoxy)anilino]-3-oxopropyl]benzamide
CID 24636986
N-(1H-indazol-5-yl)-3-[(2-phenylacetyl)amino]propanamide
CID 134037553
N-(2,3-dihydro-1H-inden-5-yl)-3-[(2-phenylacetyl)amino]propanamide
CID 18135257
N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]oxyphenyl]butanamide
CID 147110336
1-methyl-N-[4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]-6-oxopyridine-3-carboxamide
CID 71919533
1-benzyl-N-[4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]pyrazole-4-sulfonamide
CID 71853041
N-[4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide
CID 166226929
N-(2-methyl-4-propoxyphenyl)-3-[(2-phenylacetyl)amino]propanamide
CID 55904755
3-[(2-phenylacetyl)amino]-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 30864454

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]-3-[(2-phenylacetyl)amino]propanamide?
The IUPAC name of N-[4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]-3-[(2-phenylacetyl)amino]propanamide (CID 99716304) is N-[4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]-3-[(2-phenylacetyl)amino]propanamide.
What is the SMILES notation for N-[4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]-3-[(2-phenylacetyl)amino]propanamide?
The canonical SMILES for N-[4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]-3-[(2-phenylacetyl)amino]propanamide is Cc1cc(Oc2ccc(NC(=O)CCNC(=O)Cc3ccccc3)cc2)n[nH]1.
What is the InChIKey of N-[4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]-3-[(2-phenylacetyl)amino]propanamide?
The InChIKey is BVWZVZKWJGAHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-15-13-21(25-24-15)28-18-9-7-17(8-10-18)23-19(26)11-12-22-20(27)14-16-5-3-2-4-6-16/h2-10,13H,11-12,14H2,1H3,(H,22,27)(H,23,26)(H,24,25).
What are the key properties of N-[4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]-3-[(2-phenylacetyl)amino]propanamide?
N-[4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]-3-[(2-phenylacetyl)amino]propanamide has a molecular weight of 378.43 g/mol, XLogP of 3.20, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]-3-[(2-phenylacetyl)amino]propanamide is sourced from PubChem (CID 99716304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).