N-[1-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3-pyridin-4-yloxypyrrolidine-1-carboxamide

C21H23N5O3 — CID 166197585

IUPACN-[1-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3-pyridin-4-yloxypyrrolidine-1-carboxamide
SMILESCOc1ccc(-n2nc(NC(=O)N3CCC(Oc4ccncc4)C3)cc2C)cc1
InChIInChI=1S/C21H23N5O3/c1-15-13-20(24-26(15)16-3-5-17(28-2)6-4-16)23-21(27)25-12-9-19(14-25)29-18-7-10-22-11-8-18/h3-8,10-11,13,19H,9,12,14H2,1-2H3,(H,23,24,27)
InChIKeyVFIWPMFSEJHROF-UHFFFAOYSA-N
MW393.45 g/mol
LogP3.27
Rot. Bonds5

About N-[1-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3-pyridin-4-yloxypyrrolidine-1-carboxamide

N-[1-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3-pyridin-4-yloxypyrrolidine-1-carboxamide (PubChem CID 166197585) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3-pyridin-4-yloxypyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3-pyridin-4-yloxypyrrolidine-1-carboxamide
PubChem CID166197585
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC NameN-[1-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3-pyridin-4-yloxypyrrolidine-1-carboxamide
SMILESCOc1ccc(-n2nc(NC(=O)N3CCC(Oc4ccncc4)C3)cc2C)cc1
InChIInChI=1S/C21H23N5O3/c1-15-13-20(24-26(15)16-3-5-17(28-2)6-4-16)23-21(27)25-12-9-19(14-25)29-18-7-10-22-11-8-18/h3-8,10-11,13,19H,9,12,14H2,1-2H3,(H,23,24,27)
InChIKeyVFIWPMFSEJHROF-UHFFFAOYSA-N
XLogP3.27
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122088889
2,2-dimethyl-1-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]propan-1-one
CID 124568628
(3S)-N-(3-propan-2-yloxy-2-pyridinyl)-3-pyridin-4-yloxypyrrolidine-1-carboxamide
CID 124875009
N-(3-propan-2-yloxy-2-pyridinyl)-3-pyridin-4-yloxypyrrolidine-1-carboxamide
CID 119043701
[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone
CID 126792647
3-(4-methoxyphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 51104059
N-(1,5-dimethylpyrazol-3-yl)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidine-1-carboxamide
CID 129006000
(3S)-N-pyridin-2-yl-3-pyridin-3-yloxypyrrolidine-1-carboxamide
CID 97084803
naphthalen-1-yl-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]methanone
CID 124878377
N-(3,5-dimethylphenyl)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide
CID 90639329
N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-4-pyridin-4-yloxypiperidine-1-carboxamide
CID 126428022
N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-pyridin-4-yloxypiperidine-1-carboxamide
CID 121497447

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3-pyridin-4-yloxypyrrolidine-1-carboxamide?
The IUPAC name of N-[1-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3-pyridin-4-yloxypyrrolidine-1-carboxamide (CID 166197585) is N-[1-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3-pyridin-4-yloxypyrrolidine-1-carboxamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3-pyridin-4-yloxypyrrolidine-1-carboxamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3-pyridin-4-yloxypyrrolidine-1-carboxamide is COc1ccc(-n2nc(NC(=O)N3CCC(Oc4ccncc4)C3)cc2C)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3-pyridin-4-yloxypyrrolidine-1-carboxamide?
The InChIKey is VFIWPMFSEJHROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-15-13-20(24-26(15)16-3-5-17(28-2)6-4-16)23-21(27)25-12-9-19(14-25)29-18-7-10-22-11-8-18/h3-8,10-11,13,19H,9,12,14H2,1-2H3,(H,23,24,27).
What are the key properties of N-[1-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3-pyridin-4-yloxypyrrolidine-1-carboxamide?
N-[1-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3-pyridin-4-yloxypyrrolidine-1-carboxamide has a molecular weight of 393.45 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3-pyridin-4-yloxypyrrolidine-1-carboxamide is sourced from PubChem (CID 166197585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).