[2-(naphthalen-1-ylmethyl)morpholin-4-yl]-[5-(tetrazol-1-yl)-1H-pyrazol-4-yl]methanone

C20H19N7O2 — CID 45210321

IUPAC[2-(naphthalen-1-ylmethyl)morpholin-4-yl]-[5-(tetrazol-1-yl)-1H-pyrazol-4-yl]methanone
SMILESO=C(c1cn[nH]c1-n1cnnn1)N1CCOC(Cc2cccc3ccccc23)C1
InChIInChI=1S/C20H19N7O2/c28-20(18-11-21-23-19(18)27-13-22-24-25-27)26-8-9-29-16(12-26)10-15-6-3-5-14-4-1-2-7-17(14)15/h1-7,11,13,16H,8-10,12H2,(H,21,23)
InChIKeyXRMHLQRFSFEPCO-UHFFFAOYSA-N
MW389.42 g/mol
LogP1.62
Rot. Bonds4

About [2-(naphthalen-1-ylmethyl)morpholin-4-yl]-[5-(tetrazol-1-yl)-1H-pyrazol-4-yl]methanone

[2-(naphthalen-1-ylmethyl)morpholin-4-yl]-[5-(tetrazol-1-yl)-1H-pyrazol-4-yl]methanone (PubChem CID 45210321) has the molecular formula C20H19N7O2 and a molecular weight of 389.42 g/mol. Its IUPAC name is [2-(naphthalen-1-ylmethyl)morpholin-4-yl]-[5-(tetrazol-1-yl)-1H-pyrazol-4-yl]methanone.

Molecular Properties

Compound Name[2-(naphthalen-1-ylmethyl)morpholin-4-yl]-[5-(tetrazol-1-yl)-1H-pyrazol-4-yl]methanone
PubChem CID45210321
Molecular FormulaC20H19N7O2
Molecular Weight389.42 g/mol
Exact Mass389.16
IUPAC Name[2-(naphthalen-1-ylmethyl)morpholin-4-yl]-[5-(tetrazol-1-yl)-1H-pyrazol-4-yl]methanone
SMILESO=C(c1cn[nH]c1-n1cnnn1)N1CCOC(Cc2cccc3ccccc23)C1
InChIInChI=1S/C20H19N7O2/c28-20(18-11-21-23-19(18)27-13-22-24-25-27)26-8-9-29-16(12-26)10-15-6-3-5-14-4-1-2-7-17(14)15/h1-7,11,13,16H,8-10,12H2,(H,21,23)
InChIKeyXRMHLQRFSFEPCO-UHFFFAOYSA-N
XLogP1.62
TPSA101.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-benzyl-3-ethyl-1-[5-(tetrazol-1-yl)-1H-pyrazole-4-carbonyl]-1,4-diazepan-5-one
CID 56873090
N-ethyl-1-[5-(tetrazol-1-yl)-1H-pyrazole-4-carbonyl]pyrrolidine-3-carboxamide
CID 91765551
[2-(aminomethyl)morpholin-4-yl]-naphthalen-1-ylmethanone
CID 61339139
(5-methoxyfuran-2-yl)-[2-(naphthalen-1-ylmethyl)morpholin-4-yl]methanone
CID 45245517
pyrrolidin-1-yl-[(1R,6S,8R)-3-[5-(tetrazol-1-yl)-1H-pyrazole-4-carbonyl]-3-azabicyclo[4.2.0]octan-8-yl]methanone
CID 169416219
8-methyl-2-[5-(tetrazol-1-yl)-1H-pyrazole-4-carbonyl]-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 50985022
3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[(2S)-2-(naphthalen-1-ylmethyl)morpholin-4-yl]propan-1-one
CID 25287005
1-[(2S)-2-(naphthalen-1-ylmethyl)morpholin-4-yl]-3-pyrazin-2-ylpropan-1-one
CID 25460624
[(3R)-4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-[5-(tetrazol-1-yl)-1H-pyrazol-4-yl]methanone
CID 95554976
[6-(1H-indazol-4-ylmethyl)-1,4-oxazepan-4-yl]-[2-(morpholin-4-ylmethyl)phenyl]methanone
CID 132772422
(2,3-dihydroxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 114344564
3-[2-[2-(naphthalen-1-ylmethyl)morpholin-4-yl]-2-oxoethyl]oxadiazol-3-ium-5-olate
CID 45167868

Frequently Asked Questions

What is the IUPAC name of [2-(naphthalen-1-ylmethyl)morpholin-4-yl]-[5-(tetrazol-1-yl)-1H-pyrazol-4-yl]methanone?
The IUPAC name of [2-(naphthalen-1-ylmethyl)morpholin-4-yl]-[5-(tetrazol-1-yl)-1H-pyrazol-4-yl]methanone (CID 45210321) is [2-(naphthalen-1-ylmethyl)morpholin-4-yl]-[5-(tetrazol-1-yl)-1H-pyrazol-4-yl]methanone.
What is the SMILES notation for [2-(naphthalen-1-ylmethyl)morpholin-4-yl]-[5-(tetrazol-1-yl)-1H-pyrazol-4-yl]methanone?
The canonical SMILES for [2-(naphthalen-1-ylmethyl)morpholin-4-yl]-[5-(tetrazol-1-yl)-1H-pyrazol-4-yl]methanone is O=C(c1cn[nH]c1-n1cnnn1)N1CCOC(Cc2cccc3ccccc23)C1.
What is the InChIKey of [2-(naphthalen-1-ylmethyl)morpholin-4-yl]-[5-(tetrazol-1-yl)-1H-pyrazol-4-yl]methanone?
The InChIKey is XRMHLQRFSFEPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O2/c28-20(18-11-21-23-19(18)27-13-22-24-25-27)26-8-9-29-16(12-26)10-15-6-3-5-14-4-1-2-7-17(14)15/h1-7,11,13,16H,8-10,12H2,(H,21,23).
What are the key properties of [2-(naphthalen-1-ylmethyl)morpholin-4-yl]-[5-(tetrazol-1-yl)-1H-pyrazol-4-yl]methanone?
[2-(naphthalen-1-ylmethyl)morpholin-4-yl]-[5-(tetrazol-1-yl)-1H-pyrazol-4-yl]methanone has a molecular weight of 389.42 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(naphthalen-1-ylmethyl)morpholin-4-yl]-[5-(tetrazol-1-yl)-1H-pyrazol-4-yl]methanone is sourced from PubChem (CID 45210321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).