N-[[3-(oxolan-3-ylmethoxy)-4-pyridinyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide

C21H22N4O3 — CID 166207649

IUPACN-[[3-(oxolan-3-ylmethoxy)-4-pyridinyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESO=C(NCc1ccncc1OCC1CCOC1)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C21H22N4O3/c26-21(19-10-18(24-25-19)16-4-2-1-3-5-16)23-11-17-6-8-22-12-20(17)28-14-15-7-9-27-13-15/h1-6,8,10,12,15H,7,9,11,13-14H2,(H,23,26)(H,24,25)
InChIKeySTMZKNVJBYZACL-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.82
Rot. Bonds7

About N-[[3-(oxolan-3-ylmethoxy)-4-pyridinyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide

N-[[3-(oxolan-3-ylmethoxy)-4-pyridinyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 166207649) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-[[3-(oxolan-3-ylmethoxy)-4-pyridinyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[[3-(oxolan-3-ylmethoxy)-4-pyridinyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID166207649
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC NameN-[[3-(oxolan-3-ylmethoxy)-4-pyridinyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESO=C(NCc1ccncc1OCC1CCOC1)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C21H22N4O3/c26-21(19-10-18(24-25-19)16-4-2-1-3-5-16)23-11-17-6-8-22-12-20(17)28-14-15-7-9-27-13-15/h1-6,8,10,12,15H,7,9,11,13-14H2,(H,23,26)(H,24,25)
InChIKeySTMZKNVJBYZACL-UHFFFAOYSA-N
XLogP2.82
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[3-(oxolan-3-ylmethoxy)-4-pyridinyl]methyl]-3-(3-phenoxycyclobutyl)urea
CID 166243047
N-[2-[(3S)-oxan-3-yl]ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 125441800
3-phenyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrazole-5-carboxamide
CID 25357745
N-benzyl-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53087401
3-phenyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-1H-pyrazole-5-carboxamide
CID 121165402
N-[(2-fluorophenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 17499235
N-[(2-methylphenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 8889561
4-bromo-3-(oxolan-3-ylmethoxy)pyridine
CID 90421245
1-(cyclopropylmethyl)-N-[[3-[[(3S)-oxolan-3-yl]methoxy]-4-pyridinyl]methyl]pyrazole-4-sulfonamide
CID 164627824
N-[(3R,4R)-4-methoxyoxan-3-yl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 136587643
5-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 71921983
3-phenyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1H-pyrazole-5-carboxamide
CID 91779690

Frequently Asked Questions

What is the IUPAC name of N-[[3-(oxolan-3-ylmethoxy)-4-pyridinyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[[3-(oxolan-3-ylmethoxy)-4-pyridinyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide (CID 166207649) is N-[[3-(oxolan-3-ylmethoxy)-4-pyridinyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[[3-(oxolan-3-ylmethoxy)-4-pyridinyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[[3-(oxolan-3-ylmethoxy)-4-pyridinyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide is O=C(NCc1ccncc1OCC1CCOC1)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of N-[[3-(oxolan-3-ylmethoxy)-4-pyridinyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is STMZKNVJBYZACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c26-21(19-10-18(24-25-19)16-4-2-1-3-5-16)23-11-17-6-8-22-12-20(17)28-14-15-7-9-27-13-15/h1-6,8,10,12,15H,7,9,11,13-14H2,(H,23,26)(H,24,25).
What are the key properties of N-[[3-(oxolan-3-ylmethoxy)-4-pyridinyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide?
N-[[3-(oxolan-3-ylmethoxy)-4-pyridinyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(oxolan-3-ylmethoxy)-4-pyridinyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 166207649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).