4-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-2-(2H-tetrazol-5-yl)morpholine

C16H19N7O2 — CID 157018475

IUPAC4-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-2-(2H-tetrazol-5-yl)morpholine
SMILESCOc1ccc(-n2cccn2)c(CN2CCOC(c3nn[nH]n3)C2)c1
InChIInChI=1S/C16H19N7O2/c1-24-13-3-4-14(23-6-2-5-17-23)12(9-13)10-22-7-8-25-15(11-22)16-18-20-21-19-16/h2-6,9,15H,7-8,10-11H2,1H3,(H,18,19,20,21)
InChIKeyLXESTYIVZUMPSI-UHFFFAOYSA-N
MW341.38 g/mol
LogP0.97
Rot. Bonds5

About 4-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-2-(2H-tetrazol-5-yl)morpholine

4-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-2-(2H-tetrazol-5-yl)morpholine (PubChem CID 157018475) has the molecular formula C16H19N7O2 and a molecular weight of 341.38 g/mol. Its IUPAC name is 4-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-2-(2H-tetrazol-5-yl)morpholine.

Molecular Properties

Compound Name4-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-2-(2H-tetrazol-5-yl)morpholine
PubChem CID157018475
Molecular FormulaC16H19N7O2
Molecular Weight341.38 g/mol
Exact Mass341.16
IUPAC Name4-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-2-(2H-tetrazol-5-yl)morpholine
SMILESCOc1ccc(-n2cccn2)c(CN2CCOC(c3nn[nH]n3)C2)c1
InChIInChI=1S/C16H19N7O2/c1-24-13-3-4-14(23-6-2-5-17-23)12(9-13)10-22-7-8-25-15(11-22)16-18-20-21-19-16/h2-6,9,15H,7-8,10-11H2,1H3,(H,18,19,20,21)
InChIKeyLXESTYIVZUMPSI-UHFFFAOYSA-N
XLogP0.97
TPSA93.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-4-(oxan-4-yl)piperazine
CID 74246666
1-[2-[[(3R)-3-(3-chlorophenyl)pyrrolidin-1-yl]methyl]-4-methoxyphenyl]pyrazole
CID 99947179
(2S)-4-benzyl-2-(2H-tetrazol-5-yl)morpholine
CID 52809539
1-(furan-2-ylmethyl)-4-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]piperazine
CID 135096544
4-[3-(5-methoxy-2-pyrazol-1-ylphenyl)propyl]morpholine
CID 170869588
ethyl 4-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]piperazine-1-carboxylate
CID 91767325
9-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-4-methyl-1-oxa-9-azaspiro[5.5]undec-4-ene
CID 135111222
2-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-6-methylsulfanyl-3,4-dihydro-1H-isoquinoline
CID 77095109
2-[1-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]piperidin-2-yl]pyridine
CID 56914339
9-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 162630357
2-[4-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]morpholin-3-yl]acetic acid
CID 56912179
(3aS,4S,7aR)-4-ethyl-2-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-3,3a,5,6,7,7a-hexahydro-1H-isoindol-4-ol
CID 163306018

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-2-(2H-tetrazol-5-yl)morpholine?
The IUPAC name of 4-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-2-(2H-tetrazol-5-yl)morpholine (CID 157018475) is 4-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-2-(2H-tetrazol-5-yl)morpholine.
What is the SMILES notation for 4-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-2-(2H-tetrazol-5-yl)morpholine?
The canonical SMILES for 4-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-2-(2H-tetrazol-5-yl)morpholine is COc1ccc(-n2cccn2)c(CN2CCOC(c3nn[nH]n3)C2)c1.
What is the InChIKey of 4-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-2-(2H-tetrazol-5-yl)morpholine?
The InChIKey is LXESTYIVZUMPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7O2/c1-24-13-3-4-14(23-6-2-5-17-23)12(9-13)10-22-7-8-25-15(11-22)16-18-20-21-19-16/h2-6,9,15H,7-8,10-11H2,1H3,(H,18,19,20,21).
What are the key properties of 4-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-2-(2H-tetrazol-5-yl)morpholine?
4-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-2-(2H-tetrazol-5-yl)morpholine has a molecular weight of 341.38 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-2-(2H-tetrazol-5-yl)morpholine is sourced from PubChem (CID 157018475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).